SCHEMBL973945

SCHEMBL973945

CCOC(=O)c1cnc(N(C)CCNC(=O)C#Cc2cccc(Cl)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
VCP P55072 1/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
PYGL P06737 1/20 0.36
CYP3A4 P08684 1/20 0.36
TMPRSS15 P98073 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL974025 0.92 GRM5 (0.39) GRM5VCPKDM4EALDH1A1MAPT
SCHEMBL2854938 0.88 GRM5 (0.40) GRM5VCPALDH1A1MAPTPYGL
SCHEMBL971082 0.86 GRM5 (0.41) GRM5VCPALDH1A1PYGLMAPK1
SCHEMBL972331 0.86 GRM5 (0.42) GRM5VCPALDH1A1MAPTPYGL
SCHEMBL972196 0.84 GRM5 (0.40) GRM5VCPALDH1A1MAPTPYGL
SCHEMBL973631 0.84 GRM5 (0.40) GRM5VCPPYGL
SCHEMBL971438 0.83 L3MBTL1 (0.47) GRM5VCPKDM4EALDH1A1MAPT
SCHEMBL973860 0.82 GRM5 (0.39) GRM5VCPPYGL
SCHEMBL973186 0.80 PYGL (0.41) GRM5VCPALDH1A1MAPTPYGL
Hydrochloric Acid SCHEMBL972280 0.79 PYGL (0.41) GRM5VCPALDH1A1MAPTPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP 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 GRM5 1623/4885VCP 1575/4885KDM4E 3583/4885

“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.