Sugi Predict

Sugi Predict / Compounds / SCHEMBL4657791

SCHEMBL4657791

SCHEMBL4657791

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ S1PR1 P21453 5/20 0.39
▸ S1PR4 O95977 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EIF4EBP1 Q13541 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33

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
SCHEMBL4655579 0.92 THRA (0.39) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4655546 0.91 S1PR1 (0.38) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4656435 0.91 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5418991 0.90 THRA (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4657830 0.90 S1PR1 (0.41) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4655568 0.89 THRA (0.37) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4657828 0.89 S1PR1 (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4655591 0.89 NPC1 (0.35) S1PR1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL5425601 0.89 S1PR1 (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5432588 0.88 S1PR1 (0.36) THRATHRBS1PR1S1PR4S1PR5

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 claimed
EP-1996565-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY Achillion Pharmaceuticals, Inc. (US) 2008-12-03 — — EP claimed
WO-2007103550-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 — — WO 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 THRA 4325/4885THRB 4066/4885S1PR1 4365/4885

“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.