SCHEMBL806014

SCHEMBL806014

O=C(O)c1ccc(C(=O)O)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
CYP2C9 P11712 2/20 0.73
TSHR P16473 1/20 0.73
PPARG P37231 1/20 0.66
SRD5A2 P31213 1/20 0.62
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 4/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 1/20 0.59
ADRA2A P08913 1/20 0.56
MAOA P21397 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR2B P41595 1/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15385958 0.92 CYP1A2 (0.85) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL9638336 0.89 CYP2C9 (0.87) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL21540376 0.86 CYP1A2 (0.76) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL3363253 0.82 KDM4E (0.82) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL10616433 0.78 ALDH1A1 (0.68) CYP1A2ALDH1A1HPGDCYP2C9KDM4E
SCHEMBL14426507 0.78 ALDH1A1 (0.62) CYP1A2ALDH1A1HPGDCYP2C9KDM4E
SCHEMBL503767 0.78 SRD5A2 (1.00) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL29460235 0.78 SRD5A2 (1.00) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL31156436 0.77 KDM4E (0.74) CYP1A2ALDH1A1HPGDCYP2C9TSHR
SCHEMBL25970319 0.77 KDM4E (0.74) CYP1A2ALDH1A1HPGDCYP2C9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-11-05 US disclosed
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-11-05 US disclosed
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-24 US disclosed
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-03 US disclosed
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-03 US disclosed
EP-2816034-B1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INST BIOCHEMII I BIOFIZYKI POLSKIEJ AKADEMII NAUK (PL) 2018-12-12 EP disclosed
EP-2826771-B1 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INST BIOCHEMII I BIOFIZYKI POLSKIEJ AKADEMII NAUK (PL) 2018-12-12 EP disclosed
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-28 US disclosed
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-28 US disclosed
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-28 US disclosed
US-20160000778-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-01-07 US disclosed
US-20160000778-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-01-07 US disclosed
EP-2616444-B1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INST BIOCHEMII I BIOFIZYKI PAN (PL) 2015-08-26 EP disclosed
EP-2826771-A2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction Instytut Biochemii I Biofizyki Polskiej Akademii Nauk (PL) 2015-01-21 EP disclosed
EP-2816035-A2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction Instytut Biochemii I Biofizyki Polskiej Akademii Nauk (PL) 2014-12-24 EP disclosed
EP-2816034-A2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction Instytut Biochemii I Biofizyki Polskiej Akademii Nauk (PL) 2014-12-24 EP disclosed
EP-2816034-A2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction Instytut Biochemii I Biofizyki Polskiej Akademii Nauk (PL) 2014-12-24 EP disclosed
US-20130303761-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2013-11-14 US disclosed
US-20130303761-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2013-11-14 US disclosed
WO-2012036573-A2 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TMEM120A CYP1A2 4162/4885ALDH1A1 3701/4885HPGD 4175/4885
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 CYP1A2 3709/4885ALDH1A1 3883/4885HPGD 4082/4885
US-20130303761-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TCOF1, ABCC2 CYP1A2 3328/4885ALDH1A1 4338/4885HPGD 3990/4885
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TCOF1 CYP1A2 3709/4885ALDH1A1 3883/4885HPGD 4082/4885
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 CYP1A2 3709/4885ALDH1A1 3883/4885HPGD 4082/4885
US-20160000778-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TMEM120A CYP1A2 4162/4885ALDH1A1 3701/4885HPGD 4175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.