SCHEMBL207998

SCHEMBL207998

CCCCCOc1ccc(N(C)c2nc(C(=O)O)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
S1PR1 P21453 5/20 0.44
MRGPRX4 Q96LA9 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
PLA2G4A P47712 1/20 0.37
RXRA P19793 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL206124 0.85 S1PR1 (0.45) THRATHRBS1PR1MRGPRX4ALDH1A1
SCHEMBL2703759 0.85 RXRA (0.38) THRATHRBPLA2G2DPLA2G4ARXRA
SCHEMBL205332 0.83 SGMS2 (0.45) THRATHRBS1PR1
SCHEMBL205489 0.83 S1PR1 (0.42) THRATHRBS1PR1MRGPRX4ALDH1A1
SCHEMBL10190559 0.80 S1PR1 (0.40) THRATHRBS1PR1HPGD
SCHEMBL205980 0.79 NPC1 (0.52) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL206582 0.78 S1PR1 (0.54) THRATHRBS1PR1MRGPRX4PLA2G2D
SCHEMBL5439867 0.76 THRA (0.47) THRATHRBS1PR1NR1H2NR1H3
SCHEMBL9885414 0.75 THRA (0.37) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5418974 0.74 THRA (0.43) THRATHRBS1PR1MRGPRX4PLA2G2D

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
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP 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-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

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 THRA 928/4885THRB 1003/4885S1PR1 1259/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 THRA 4325/4885THRB 4066/4885S1PR1 4365/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 THRA 928/4885THRB 1003/4885S1PR1 1259/4885

“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.