SCHEMBL973845

SCHEMBL973845

O=C(C#Cc1cccc(Cl)c1)NC1CCCN(c2nccs2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
BTK Q06187 5/20 0.40
CNR1 P21554 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ADAM17 P78536 1/20 0.38
GRM5 P41594 2/20 0.36
RHOA P61586 1/20 0.36
KIF11 P52732 1/20 0.36
MAP3K14 Q99558 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL973205 0.91 HPGD (0.38) HPGDHSD17B10ADAM17GRM5MAP3K14
SCHEMBL972911 0.89 BTK (0.49) HPGDBTKCNR1HSD17B10GRM5
SCHEMBL972548 0.83 HSD17B10 (0.51) HPGDBTKHSD17B10GRM5DRD2
SCHEMBL973007 0.80 PRKDC (0.40) BTKHSD17B10PPARAGRM5RHOA
SCHEMBL974009 0.78 RAB9A (0.39) BTKPPARDPPARAGRM5DRD2
SCHEMBL973380 0.78 RAB9A (0.41) BTKPPARDPPARAGRM5DRD2
SCHEMBL972710 0.78 HSD17B10 (0.46) HPGDBTKHSD17B10GRM5DRD2
SCHEMBL4701412 0.76 HSD17B10 (0.56) HPGDBTKHSD17B10GRM5DRD2
SCHEMBL973419 0.76 PPARA (0.39) BTKPPARDPPARAGRM5DRD2
SCHEMBL971724 0.76 CNR2 (0.40) BTKPPARDPPARAGRM5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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 (1 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 HPGD 724/4885BTK 1605/4885CNR1 2025/4885

“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.