SCHEMBL972307

SCHEMBL972307

Cc1nc(N2CCC(NC(=O)C#Cc3ccc(F)cc3F)C2)sc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.39
BTK Q06187 5/20 0.38
CHRM4 P08173 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ACKR3 P25106 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
EGFR P00533 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BMX P51813 1/20 0.34
JAK3 P52333 1/20 0.34
ITK Q08881 1/20 0.34
KCNH2 Q12809 1/20 0.34
ERBB4 Q15303 1/20 0.34
MAPK1 P28482 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL974402 0.89 BTK (0.37) SMPD3BTKCHRM4
SCHEMBL975080 0.87 SMPD3 (0.39) SMPD3BTKL3MBTL1ACKR3
SCHEMBL972757 0.87 SMPD3 (0.41) SMPD3BTKPPARDPPARAACKR3
SCHEMBL974236 0.85 BTK (0.38) SMPD3BTKCHRM4L3MBTL1ACKR3
SCHEMBL973959 0.84 BTK (0.38) SMPD3BTKEGFRTECTXK
SCHEMBL973016 0.84 USP30 (0.38) SMPD3BTKCHRM4PPARDPPARA
SCHEMBL972003 0.83 CTSB (0.36) SMPD3BTKL3MBTL1ACKR3HRH4
SCHEMBL974372 0.83 SMPD3 (0.36) SMPD3BTKPPARDPPARAACKR3
SCHEMBL972442 0.82 CA12 (0.39) SMPD3HRH4
SCHEMBL4703016 0.81 FAAH (0.41) L3MBTL1ACKR3

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 9 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
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 SMPD3 3009/4885BTK 1605/4885CHRM4 2829/4885

“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.