SCHEMBL3129665

SCHEMBL3129665

CCCCCCCCc1ccc(Nc2nc(-c3cncc(C#N)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.43
NTSR1 P30989 1/20 0.43
S1PR1 P21453 1/20 0.40
CFTR P13569 1/20 0.39
MEN1 O00255 6/20 0.38
RAB9A P51151 6/20 0.38
KMT2A Q03164 6/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KIT P10721 3/20 0.36
GAA P10253 1/20 0.36
ALOX5 P09917 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL208819 0.87 VCP (0.42) VCPNTSR1S1PR1CFTRMEN1
SCHEMBL206503 0.86 VCP (0.42) VCPNTSR1S1PR1CFTRMEN1
SCHEMBL206134 0.84 MEN1 (0.56) VCPMEN1RAB9AKMT2ANPC1
SCHEMBL3128737 0.84 MEN1 (0.56) VCPMEN1RAB9AKMT2ANPC1
SCHEMBL3117381 0.84 S1PR1 (0.39) VCPNTSR1S1PR1KMT2AMAPT
SCHEMBL3131973 0.82 S1PR1 (0.45) VCPNTSR1S1PR1CFTRGAA
SCHEMBL3121654 0.81 S1PR1 (0.44) VCPNTSR1S1PR1CFTRMEN1
SCHEMBL3120185 0.81 S1PR1 (0.43) VCPNTSR1S1PR1MEN1RAB9A
SCHEMBL2755709 0.80 S1PR1 (0.41) VCPNTSR1S1PR1MEN1RAB9A
SCHEMBL207601 0.80 S1PR1 (0.41) VCPNTSR1S1PR1MEN1RAB9A

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-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US claimed
EP-2164846-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS. Achillion Pharmaceuticals, Inc. (US) 2010-03-24 EP claimed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US claimed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO claimed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 VCP 2294/4885NTSR1 849/4885S1PR1 3564/4885

“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.