SCHEMBL205980

SCHEMBL205980

CCCCCOc1ccc(N(C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
GFER P55789 1/20 0.52
GRM1 Q13255 1/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 5/20 0.40
ALOX15 P16050 1/20 0.40
ENPP2 Q13822 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL3122942 0.90 NPC1 (0.43) NPC1GFERGRM1ATP4AATP4B
SCHEMBL5419893 0.90 THRA (0.44) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4712080 0.89 NPC1 (0.41) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4715023 0.88 NPC1 (0.43) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4656700 0.88 NPC1 (0.42) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4657933 0.87 NPC1 (0.42) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4658007 0.87 NPC1 (0.42) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4656607 0.87 NPC1 (0.42) NPC1GFERGRM1ATP4AATP4B
SCHEMBL4655649 0.87 NPC1 (0.42) NPC1GFERGRM1ATP4AATP4B
SCHEMBL3248209 0.87 NPC1 (0.40) NPC1GFERGRM1ATP4AATP4B

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 23 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
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
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP 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
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 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 (4 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 NPC1 62/4885GFER 1377/4885GRM1 3379/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 NPC1 1995/4885GFER 1257/4885GRM1 3227/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885GFER 1377/4885GRM1 3379/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 NPC1 137/4885GFER 1543/4885GRM1 4311/4885

“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.