SCHEMBL973997

SCHEMBL973997

CN(CCNC(=O)C#Cc1ccccc1)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.43
GRM5 P41594 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
UTS2R Q9UKP6 3/20 0.39
NR3C1 P04150 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PPARG P37231 1/20 0.36
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL973633 0.88 VCP (0.38) VCPGRM5UTS2RTRPM8FFAR1
SCHEMBL973186 0.87 PYGL (0.41) VCPGRM5UTS2R
Hydrochloric Acid SCHEMBL972280 0.87 PYGL (0.41) VCPGRM5UTS2R
SCHEMBL971740 0.81 NPSR1 (0.47) VCPGRM5NPSR1UTS2RNR3C1
SCHEMBL14024208 0.80 NPSR1 (0.45) VCPGRM5NPSR1UTS2RNR3C1
SCHEMBL974727 0.76 SMN1; SMN2 (0.46) VCPGRM5SMN1; SMN2L3MBTL1
SCHEMBL4702135 0.75 SMN1; SMN2 (0.45) VCPGRM5SMN1; SMN2L3MBTL1
SCHEMBL972933 0.75 GRM5 (0.41) VCPGRM5SMN1; SMN2
SCHEMBL972786 0.72 NPSR1 (0.47) VCPGRM5NPSR1NR3C1TRPM8
SCHEMBL973076 0.71 PYGL (0.40) VCPGRM5UTS2R

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 1575/4885GRM5 1623/4885NPSR1 2198/4885

“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.