SCHEMBL806050

SCHEMBL806050

O=P(O)(/C=C/P(=O)(O)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
ALOX15 P16050 1/20 0.67
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA5A P35218 1/20 0.59
CFTR P13569 1/20 0.52
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
SRC P12931 2/20 0.41
PTPN1 P18031 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL31590845 0.84 ALOX15 (0.55) TSHRALOX15CA2CA4CA5A
SCHEMBL1287657 0.81 TSHR (0.52) TSHRALOX15CA2CA4CA5A
SCHEMBL5668124 0.80 TSHR (0.61) TSHRALOX15CA2CA4CA5A
SCHEMBL10598923 0.80 TSHR (1.00) TSHRALOX15CA2CA4CA5A
Hydrochloric Acid SCHEMBL11507042 0.80 ALOX15 (0.50) TSHRALOX15CA2CA4CA5A
SCHEMBL31590664 0.78 TSHR (0.48) TSHRALOX15CA2CA4CA5A
SCHEMBL14335130 0.77 TSHR (0.47) TSHRALOX15CA2CA4CA5A
SCHEMBL31590628 0.75 TSHR (0.46) TSHRALOX15CA2CA4CA5A
Phenylphosphonic Acid SCHEMBL34998 0.75 CA2 (1.00) TSHRALOX15CA2CA4CA5A
SCHEMBL191567 0.75 CA2 (0.68) TSHRALOX15CA2CA4CA5A

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 15 patents. 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-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-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-20160101107-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) 2016-04-14 US disclosed
US-20160101107-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) 2016-04-14 US disclosed
US-20160095869-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) 2016-04-07 US disclosed
US-20160095869-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) 2016-04-07 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
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
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 (8 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 TSHR 2685/4885ALOX15 4466/4885CA2 2128/4885
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 TSHR 2566/4885ALOX15 4631/4885CA2 2129/4885
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TCOF1 TSHR 2566/4885ALOX15 4631/4885CA2 2129/4885
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 TSHR 2350/4885ALOX15 4660/4885CA2 2394/4885
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 TSHR 2566/4885ALOX15 4631/4885CA2 2129/4885
US-20160095869-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TMEM120A TSHR 2685/4885ALOX15 4466/4885CA2 2128/4885
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 TSHR 2566/4885ALOX15 4631/4885CA2 2129/4885
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 TSHR 2685/4885ALOX15 4466/4885CA2 2128/4885

“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.