SCHEMBL973633

SCHEMBL973633

Cc1cccc(C#CC(=O)NCCN(C)c2nccs2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
ALOX5 P09917 1/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 2/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.35
PYGL P06737 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
DRD4 P21917 1/20 0.34
CTSA P10619 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 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
SCHEMBL973186 0.89 PYGL (0.41) VCPGRM5LMNAPYGLKMT2A
SCHEMBL973997 0.88 VCP (0.43) VCPL3MBTL1FFAR1GRM5TRPM8
Hydrochloric Acid SCHEMBL972280 0.88 PYGL (0.41) VCPGRM5LMNAPYGLKMT2A
SCHEMBL973396 0.83 GRM5 (0.39) VCPEGLN1ALOX5TP53FFAR1
SCHEMBL972933 0.77 GRM5 (0.41) VCPHTTGRM5LMNAPYGL
SCHEMBL971082 0.74 GRM5 (0.41) VCPGRM5PYGLCTSAUTS2R
SCHEMBL973508 0.74 GRM5 (0.42) VCPHTTGRM5LMNAPYGL
SCHEMBL972331 0.73 GRM5 (0.42) VCPGRM5PYGLKMT2AUTS2R
SCHEMBL2348851 0.73 PYGL (0.41) VCPGRM5PYGLUTS2R
SCHEMBL971825 0.73 PYGL (0.41) VCPHTTGRM5PYGLUTS2R

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-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
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO 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 VCP 1575/4885EGLN1 3877/4885ALOX5 1650/4885

“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.