SCHEMBL206582

SCHEMBL206582

CCCCCOc1ccc(Nc2nc(C(=O)O)cs2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.54
CA12 O43570 6/20 0.48
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
PLA2G4A P47712 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL206224 0.92 S1PR1 (0.54) S1PR1CA12CA1CA2CA9
SCHEMBL205431 0.90 S1PR1 (0.49) S1PR1CA12CA1CA2CA9
SCHEMBL206001 0.87 S1PR1 (0.49) S1PR1CA12CA1CA2CA9
SCHEMBL206558 0.86 S1PR1 (0.49) S1PR1CA12CA1CA2CA9
SCHEMBL206323 0.86 S1PR1 (0.50) S1PR1CA12CA1CA2CA9
SCHEMBL206022 0.86 S1PR1 (0.48) S1PR1CA12CA1CA2CA9
SCHEMBL205913 0.86 S1PR1 (0.50) S1PR1CA12CA1CA2CA9
SCHEMBL207519 0.85 CSNK2A1 (0.53) S1PR1KDM4EMAPTNPSR1MAPK1
SCHEMBL205948 0.85 S1PR1 (0.47) S1PR1CA12CA1CA2CA9
SCHEMBL207482 0.85 S1PR1 (0.52) S1PR1CA12CA1CA2CA9

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 9 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-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 1259/4885CA12 3857/4885CA1 2690/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885CA12 3857/4885CA1 2690/4885

“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.