SCHEMBL205489

SCHEMBL205489

CCCCCOc1ccc(N(C)c2nc(C(=O)Nc3ccc(C#N)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RAF1 P04049 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL10190559 0.98 S1PR1 (0.40) S1PR1THRATHRBTRPV1SIRT2
SCHEMBL206124 0.91 S1PR1 (0.45) S1PR1THRATHRBRAF1MRGPRX4
SCHEMBL205332 0.85 SGMS2 (0.45) S1PR1THRATHRBTRPV1RAF1
SCHEMBL207399 0.84 S1PR1 (0.47) S1PR1THRATHRBGSK3AGSK3B
SCHEMBL207998 0.83 THRA (0.48) S1PR1THRATHRBMRGPRX4ALDH1A1
SCHEMBL207135 0.76 SGMS2 (0.44) S1PR1TRPV1RAF1MAPT
SCHEMBL206326 0.74 S1PR1 (0.48) S1PR1THRATHRB
SCHEMBL5429240 0.74 SGMS2 (0.43) S1PR1RAF1MAPT
SCHEMBL206001 0.74 S1PR1 (0.49) S1PR1THRATHRBMRGPRX4MAPT
SCHEMBL206558 0.73 S1PR1 (0.49) S1PR1THRATHRBMAPTSMN1; SMN2

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 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-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 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 (3 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 1259/4885THRA 928/4885THRB 1003/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 S1PR1 4365/4885THRA 4325/4885THRB 4066/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885THRA 928/4885THRB 1003/4885

“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.