SCHEMBL205261

SCHEMBL205261

CCCCCOc1ccc(Nc2ncc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)s2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.45
CA2 P00918 11/20 0.44
CA9 Q16790 9/20 0.44
CA1 P00915 9/20 0.44
CA7 P43166 3/20 0.44
EGFR P00533 2/20 0.43
CA12 O43570 5/20 0.42
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CA14 Q9ULX7 1/20 0.39
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL2699111 0.86 CA2 (0.56) S1PR1CA2CA9CA1CA7
SCHEMBL2697750 0.82 S1PR1 (0.52) S1PR1S1PR4S1PR5
SCHEMBL207599 0.80 S1PR1 (0.56) S1PR1S1PR4S1PR5
SCHEMBL208472 0.80 S1PR1 (0.52) S1PR1S1PR4S1PR5
SCHEMBL206063 0.79 S1PR1 (0.50) S1PR1S1PR4S1PR5
SCHEMBL206042 0.78 CA2 (0.59) S1PR1CA2CA9CA1CA7
SCHEMBL206326 0.77 S1PR1 (0.48) S1PR1S1PR4S1PR5
SCHEMBL206586 0.77 S1PR1 (0.48) S1PR1
SCHEMBL2705550 0.77 MAPT (0.55) S1PR1CA2CA9CA1CA12
SCHEMBL205403 0.74 S1PR1 (0.48) S1PR1EGFRS1PR4S1PR5

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 8 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 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 S1PR1 1259/4885CA2 2057/4885CA9 2170/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885CA2 2057/4885CA9 2170/4885

“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.