SCHEMBL3122913

SCHEMBL3122913

CCCCCCCCOc1ccc(Nc2ncc(Oc3cccnc3)s2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
CYP1A2 P05177 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FAAH O00519 8/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SGMS2 Q8NHU3 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
SCHEMBL3131550 0.85 S1PR1 (0.47) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL10190267 0.84 KDR (0.46) S1PR1S1PR4S1PR5
SCHEMBL206586 0.79 S1PR1 (0.48) S1PR1HTR2AHTR2CNPC1RAB9A
SCHEMBL4218812 0.79 S1PR1 (0.50) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL3124593 0.79 S1PR1 (0.44) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205994 0.78 S1PR1 (0.43) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205677 0.78 S1PR1 (0.43) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205403 0.78 S1PR1 (0.48) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206632 0.78 S1PR1 (0.44) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206228 0.78 DHODH (0.43) S1PR1S1PR4S1PR5THRATHRB

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
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 S1PR1 3564/4885S1PR4 3727/4885S1PR5 3363/4885

“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.