SCHEMBL206241

SCHEMBL206241

CCCCCOc1ccc(Nc2nc(-c3ccc(CN(C)C)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALOX5 P09917 5/20 0.39
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MCHR1 Q99705 1/20 0.37
VCP P55072 1/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL205515 0.90 S1PR1 (0.45) S1PR1THRATHRBALOX5S1PR4
SCHEMBL208075 0.89 S1PR1 (0.44) S1PR1THRATHRBALOX5S1PR4
SCHEMBL206519 0.89 S1PR1 (0.46) S1PR1THRATHRBALOX5S1PR4
SCHEMBL208088 0.89 S1PR1 (0.47) S1PR1THRATHRBALOX5S1PR4
SCHEMBL252148 0.89 ALOX5 (0.43) S1PR1THRATHRBALOX5MEN1
SCHEMBL206889 0.87 S1PR1 (0.44) S1PR1ALOX5S1PR4S1PR5MEN1
SCHEMBL205425 0.87 S1PR1 (0.44) S1PR1ALOX5S1PR4S1PR5MEN1
SCHEMBL205851 0.87 S1PR1 (0.44) S1PR1ALOX5S1PR4S1PR5MEN1
SCHEMBL205529 0.87 S1PR1 (0.45) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL206476 0.86 S1PR1 (0.46) S1PR1THRATHRBALOX5S1PR4

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 25 patents — showing the first 20. 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
CN-101801964-A Heteroaryl substituted thiazoles and their use as antiviral agents ACHILLION PHARMACEUTICALS INC 2010-08-11 CN claimed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO disclosed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO disclosed
CN-101247807-A Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS INC (US) 2008-08-20 CN disclosed
EP-1879575-A2 THIAZOLE COMPOUNDS AND METHODS OF USE Achillion Pharmaceuticals, Inc. (US) 2008-01-23 EP 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
WO-2006122011-A2 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2006-11-16 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 (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 1259/4885THRA 928/4885THRB 1003/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885THRA 928/4885THRB 1003/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 S1PR1 3564/4885THRA 190/4885THRB 207/4885

“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.