SCHEMBL1844865

SCHEMBL1844865

COc1cccc2c1OCCC2C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.41
GAPDH P04406 1/20 0.41
POLB P06746 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HSPA8 P11142 1/20 0.41
HPGD P15428 1/20 0.41
JUND P17535 1/20 0.41
TNNI3 P19429 1/20 0.41
APEX1 P27695 1/20 0.41
PTPN7 P35236 1/20 0.41
TNNT2 P45379 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL20480675 0.85 PSMB5 (0.47) HTR1AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL7381949 0.83 MAPT (0.41) HTR1AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL20480545 0.81 PTGDR2 (0.45) HTR1APTGDR2CTNNB1WNT3ACA12
SCHEMBL10638224 0.80 POLL (0.50) HTR1AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL2729875 0.80 ADRA2A (0.47) HTR1APTGDR2KDM4EALDH1A1
SCHEMBL27951692 0.80 ADRA2A (0.47) PTGDR2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1845044 0.80 HTR1A (0.45) HTR1AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL20480472 0.79 KDM4E (0.41) HTR1APTGDR2KDM4EALDH1A1HSD17B10
SCHEMBL20480108 0.77 ADRA2A (0.47) PTGDR2TDP1
SCHEMBL2838371 0.77 PSMB5 (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP 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 (4 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G HTR1A 3999/4885PTGDR2 1154/4885KDM4E 4044/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 HTR1A 1942/4885PTGDR2 862/4885KDM4E 4468/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G HTR1A 3999/4885PTGDR2 1154/4885KDM4E 4044/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S HTR1A 1491/4885PTGDR2 716/4885KDM4E 4672/4885

“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.