SCHEMBL5425601

SCHEMBL5425601

CCCCCCCCOc1ccc(N(C(=O)NCC(=O)O)c2nc(-c3cccnc3)c(F)s2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.40
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
PPARD Q03181 4/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
EIF4EBP1 Q13541 1/20 0.33
NR1H2 P55055 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SGMS2 Q8NHU3 2/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL4655546 0.90 S1PR1 (0.38) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL5418991 0.89 THRA (0.40) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4657791 0.89 THRA (0.40) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4657830 0.88 S1PR1 (0.41) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4655579 0.88 THRA (0.39) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4657828 0.88 S1PR1 (0.40) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL5431295 0.87 S1PR1 (0.41) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4656435 0.86 THRA (0.42) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL5432588 0.86 S1PR1 (0.36) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4655568 0.85 THRA (0.37) S1PR1THRATHRBS1PR4S1PR5

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 6 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 claimed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US claimed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 S1PR1 4365/4885THRA 4325/4885THRB 4066/4885

“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.