SCHEMBL207519

SCHEMBL207519

CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)O)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.53
CFTR P13569 1/20 0.52
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
S1PR1 P21453 2/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
ALOX5 P09917 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL251420 0.92 CFTR (0.56) CSNK2A1CFTRMAPTNPC1RAB9A
SCHEMBL205632 0.90 CFTR (0.47) CSNK2A1CFTRMAPTNPC1RAB9A
SCHEMBL206051 0.90 S1PR1 (0.48) CSNK2A1CFTRMAPTNPC1RAB9A
SCHEMBL250514 0.90 SIRT5 (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL251456 0.88 CSNK2A1 (0.56) CSNK2A1CFTRMAPTNPC1RAB9A
SCHEMBL206916 0.88 ALOX5 (0.48) CFTRMAPTNPC1RAB9AMEN1
SCHEMBL2700258 0.87 ALOX5 (0.59) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL206595 0.87 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL206430 0.87 ALOX5 (0.47) CFTRMAPTNPC1RAB9AMEN1
SCHEMBL204744 0.87 MAPT (0.48) MAPTNPC1RAB9AMEN1KMT2A

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 CSNK2A1 1577/4885CFTR 111/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CSNK2A1 1577/4885CFTR 111/4885MAPT 2207/4885

“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.