SCHEMBL204992

SCHEMBL204992

CCCCCOc1ccc(Nc2nc(-c3ccc(C#N)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.50
CFTR P13569 1/20 0.49
NTSR1 P30989 1/20 0.44
ALOX5 P09917 4/20 0.44
CTSS P25774 5/20 0.43
CTSK P43235 4/20 0.43
KIT P10721 1/20 0.43
S1PR1 P21453 2/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL206503 0.90 VCP (0.42) VCPCFTRNTSR1ALOX5CTSS
SCHEMBL208819 0.89 VCP (0.42) VCPCFTRNTSR1ALOX5CTSS
SCHEMBL206916 0.89 ALOX5 (0.48) VCPCFTRALOX5S1PR1MCHR1
SCHEMBL209147 0.89 NTSR1 (0.43) VCPNTSR1ALOX5CTSSCTSK
SCHEMBL206595 0.88 MAPT (0.46) VCPALOX5S1PR1MCHR1KDM4E
SCHEMBL206430 0.88 ALOX5 (0.47) VCPCFTRALOX5S1PR1MCHR1
SCHEMBL2700258 0.88 ALOX5 (0.59) VCPALOX5KDM4E
SCHEMBL206349 0.88 S1PR1 (0.43) VCPNTSR1ALOX5CTSSCTSK
SCHEMBL204744 0.88 MAPT (0.48) VCPALOX5S1PR1SMN1; SMN2
SCHEMBL208515 0.87 ALOX5 (0.58) VCPALOX5KDM4E

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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
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-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 (2 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 VCP 1270/4885CFTR 111/4885NTSR1 2099/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885CFTR 111/4885NTSR1 2099/4885

“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.