SCHEMBL971724

SCHEMBL971724

CC(C)(C)c1csc(N2CCC(NC(=O)C#Cc3cccc(Cl)c3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
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
GRM5 P41594 6/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.35
ACKR3 P25106 1/20 0.34
BTK Q06187 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL972665 0.91 LMNA (0.38) CNR2RAB9ASMN1; SMN2DRD2HTR2A
SCHEMBL974369 0.90 CCR4 (0.36) RAB9ASMN1; SMN2DRD2HTR2AHTR2C
SCHEMBL973380 0.90 RAB9A (0.41) CNR2RAB9ASMN1; SMN2DRD2HTR2A
SCHEMBL972309 0.90 NTMT1 (0.36) RAB9ADRD2HTR2AHTR2CHTR2B
SCHEMBL974388 0.89 DRD2 (0.43) RAB9ASMN1; SMN2DRD2HTR2AHTR2C
SCHEMBL971187 0.88 MTNR1A (0.42) SMN1; SMN2GRM5LMNACCNCCDK8
SCHEMBL974418 0.88 GRM5 (0.39) GRM5BTKCDK8
SCHEMBL973431 0.86 USP30 (0.36) CNR2RAB9ASMN1; SMN2CTSBCTSS
SCHEMBL973975 0.86 CTSB (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL972936 0.86 LMNA (0.39) RAB9ASMN1; SMN2DRD2HTR2AHTR2C

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 CNR2 1322/4885RAB9A 4530/4885SMN1; SMN2 4756/4885

“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.