SCHEMBL972786

SCHEMBL972786

CN(CC(=O)N(C)c1nccs1)C(=O)C#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GRM5 P41594 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
NR3C1 P04150 1/20 0.39
VCP P55072 2/20 0.38
FFAR2 O15552 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G4A P47712 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 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
SCHEMBL971740 0.83 NPSR1 (0.47) NPSR1GRM5TRPM8NR3C1VCP
SCHEMBL14024208 0.81 NPSR1 (0.45) NPSR1GRM5TRPM8NR3C1VCP
SCHEMBL8235098 0.80 NR3C1 (0.42) TRPM8NR3C1FFAR2LMNAHSD17B10
SCHEMBL6772545 0.74 NPSR1 (0.66) NPSR1VCPFFAR1FFAR4MEN1
SCHEMBL973602 0.74 NPSR1 (0.48) NPSR1GRM5VCPLMNAKDM4E
SCHEMBL973997 0.72 VCP (0.43) NPSR1GRM5TRPM8NR3C1VCP
SCHEMBL973396 0.72 GRM5 (0.39) NPSR1GRM5TRPM8VCPLMNA
SCHEMBL972270 0.72 TRPM8 (0.43) NPSR1GRM5TRPM8NR3C1VCP
SCHEMBL972388 0.71 GRM5 (0.40) GRM5HSD17B10KDM4EFFAR1SMN1; SMN2
SCHEMBL971987 0.71 GRM5 (0.41) NPSR1GRM5VCPFFAR2LMNA

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 14 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
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
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
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US 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 NPSR1 2198/4885GRM5 1623/4885TRPM8 365/4885

“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.