SCHEMBL972003

SCHEMBL972003

CC(C)(C)c1csc(N2CCC(NC(=O)C#Cc3ccc(F)cc3F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
FAAH O00519 1/20 0.35
BTK Q06187 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACKR3 P25106 3/20 0.34
NTMT1 Q9BV86 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
SMPD3 Q9NY59 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
SCHEMBL975080 0.90 SMPD3 (0.39) FAAHBTKL3MBTL1NPC1RAB9A
SCHEMBL973921 0.90 SMN1; SMN2 (0.38) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL973609 0.88 SMN1; SMN2 (0.38) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL972309 0.86 NTMT1 (0.36) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL4703016 0.85 FAAH (0.41) FAAHL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL973431 0.84 USP30 (0.36) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL973375 0.84 BTK (0.36) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL972307 0.83 SMPD3 (0.39) KCNH2BTKL3MBTL1ACKR3SMPD3
SCHEMBL973611 0.83 LMNA (0.37) CTSBCTSSCTSKKCNH2LMNA
SCHEMBL974314 0.83 MAPK1 (0.41) CTSBCTSSCTSKKCNH2LMNA

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 CTSB 3529/4885CTSS 2877/4885CTSK 1902/4885

“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.