SCHEMBL971906

SCHEMBL971906

Cc1csc(N2CCC(NC(=O)C#Cc3cccs3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 1/20 0.37
ACKR3 P25106 3/20 0.36
GRM5 P41594 2/20 0.36
BTK Q06187 2/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL973133 0.90 LMNA (0.38) SMPD3SMN1; SMN2POLBACKR3GRM5
SCHEMBL973986 0.87 SMPD3 (0.41) SMPD3GRM5BTKDPP4
SCHEMBL973545 0.86 BTK (0.45) SMPD3HRH3ACKR3GRM5BTK
SCHEMBL972810 0.84 ACKR3 (0.38) SMPD3HRH3ACKR3GRM5BTK
SCHEMBL974804 0.84 SMN1; SMN2 (0.41) SMPD3SMN1; SMN2HRH3POLBACKR3
SCHEMBL971256 0.83 SMPD3 (0.37) SMPD3HRH3ACKR3BTKDPP4
SCHEMBL973019 0.83 BTK (0.38) SMPD3HRH3GRM5BTK
SCHEMBL971760 0.83 SMN1; SMN2 (0.39) SMPD3SMN1; SMN2HRH3ACKR3GRM5
SCHEMBL973612 0.82 SMPD3 (0.41) SMPD3SMN1; SMN2HRH3ACKR3GRM5
SCHEMBL973987 0.82 SMPD3 (0.43) SMPD3

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 SMPD3 3009/4885SMN1; SMN2 4756/4885HRH3 2654/4885

“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.