SCHEMBL972665

SCHEMBL972665

CC(C)(C)c1csc(N2CCC(NC(=O)C#Cc3cc(Cl)cc(Cl)c3)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KCNH2 Q12809 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ACKR3 P25106 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
CNR2 P34972 4/20 0.33
UCHL1 P09936 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
BTK Q06187 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ENPP2 Q13822 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL971724 0.91 CNR2 (0.40) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL972602 0.90 ACKR3 (0.37) ACKR3BTKDRD2HTR2AHTR2C
SCHEMBL972936 0.87 LMNA (0.39) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL974388 0.87 DRD2 (0.43) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL973431 0.86 USP30 (0.36) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL973609 0.85 SMN1; SMN2 (0.38) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL974369 0.85 CCR4 (0.36) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL972309 0.84 NTMT1 (0.36) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL973350 0.84 SMPD3 (0.38) LMNAKCNH2CTSBCTSSCTSK
SCHEMBL973975 0.84 CTSB (0.38) LMNAKCNH2CTSBCTSSCTSK

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 LMNA 3343/4885KCNH2 2346/4885CTSB 3529/4885

“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.