SCHEMBL207399

SCHEMBL207399

CCCCCOc1ccc(Nc2nc(C(=O)Nc3ccc(C#N)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
AR P10275 1/20 0.38
NTSR1 P30989 1/20 0.38
VCP P55072 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
SCHEMBL206001 0.90 S1PR1 (0.49) S1PR1KDM4EALDH1A1CA12CA1
SCHEMBL206558 0.89 S1PR1 (0.49) S1PR1SMN1; SMN2CA12CA1CA2
SCHEMBL205913 0.88 S1PR1 (0.50) S1PR1KDM4ECA12CA1CA2
SCHEMBL206022 0.88 S1PR1 (0.48) S1PR1KDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL206323 0.87 S1PR1 (0.50) S1PR1KDM4ECA12CA1CA2
SCHEMBL206042 0.86 CA2 (0.59) S1PR1CA12CA1CA2CA9
SCHEMBL205948 0.86 S1PR1 (0.47) S1PR1KDM4ECA12CA1CA2
SCHEMBL206326 0.85 S1PR1 (0.48) S1PR1THRATHRBAR
SCHEMBL204820 0.85 SGMS2 (0.47) S1PR1CA12CA1CA2CA9
SCHEMBL206224 0.84 S1PR1 (0.54) S1PR1KDM4ECA12CA1CA2

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 1259/4885KDM4E 2649/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885KDM4E 2649/4885ALDH1A1 109/4885

“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.