SCHEMBL17992

SCHEMBL17992

COc1cc(F)cc(F)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
SQOR Q9Y6N5 5/20 0.39
KDM4E B2RXH2 3/20 0.39
DHODH Q02127 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPAS1 Q99814 1/20 0.34
PRKCZ Q05513 1/20 0.33

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
SCHEMBL25330855 0.81 KDM4E (0.41) SQORKDM4ELMNAMAPTCYP2C9
SCHEMBL1629238 0.81 TRPV4 (0.39) TRPV4SQORKDM4ELMNAMAPT
SCHEMBL25564462 0.81 CYP3A4 (0.45) TRPV4KDM4ELMNAMAPTCYP2C9
SCHEMBL25330482 0.81 SQOR (0.38) SQORKDM4ELMNAMAPTCYP2C9
SCHEMBL31362476 0.80 MAOB (0.31) LMNAMAPK1
SCHEMBL22802480 0.78 CACNA1H (0.39) TRPV4SQORKDM4ELMNAMAPT
SCHEMBL12763938 0.78 PTGS2 (0.48) TRPV4SQORKDM4EUSP2ALDH1A1
SCHEMBL12725005 0.78 CACNA1H (0.41) TRPV4SQORKDM4ELMNAMAPT
SCHEMBL30753873 0.78 G6PC1 (0.40) TRPV4SQORKDM4ELMNATDP1
SCHEMBL185766 0.78 TRPV4 (0.64) TRPV4KDM4EDHODHALDH1A1EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201219-A1 SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
WO-2016201219-A1 SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US 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 (3 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 TRPV4 35/4885SQOR 3805/4885KDM4E 2789/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 TRPV4 2312/4885SQOR 160/4885KDM4E 3276/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 TRPV4 2312/4885SQOR 160/4885KDM4E 3276/4885

“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.