SCHEMBL206632

SCHEMBL206632

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3)c(N)s2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
DHODH Q02127 2/20 0.40
CHRNA7 P36544 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 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
SCHEMBL205677 0.91 S1PR1 (0.43) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL205994 0.91 S1PR1 (0.43) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL206228 0.90 DHODH (0.43) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL208285 0.90 DHODH (0.42) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL206498 0.88 S1PR1 (0.41) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL205721 0.87 S1PR1 (0.42) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL4207949 0.87 CHRNA7 (0.42) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL205764 0.86 S1PR1 (0.47) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL207547 0.85 DHODH (0.52) S1PR1DHODHMEN1KMT2A
SCHEMBL3131550 0.85 S1PR1 (0.47) S1PR1S1PR4S1PR5ABL1THRA

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 20 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
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (3 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885
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.