SCHEMBL4715397

SCHEMBL4715397

CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccncc3)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
S1PR1 P21453 5/20 0.40
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
GRM1 Q13255 5/20 0.37
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4655624 0.92 THRA (0.41) THRATHRBS1PR1GRM1S1PR4
SCHEMBL4658007 0.92 NPC1 (0.42) THRATHRBS1PR1GRM1S1PR4
SCHEMBL4656723 0.92 THRA (0.40) THRATHRBS1PR1ROCK2ROCK1
SCHEMBL5430486 0.89 MEN1 (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4655554 0.88 CYP3A4 (0.39) THRATHRBS1PR1GRM1S1PR4
SCHEMBL5420958 0.84 NPC1 (0.40) THRATHRBS1PR1GRM1S1PR4
SCHEMBL4761703 0.84 NPC1 (0.41) THRATHRBS1PR1GRM1S1PR4
SCHEMBL205523 0.84 RAB9A (0.42) THRATHRBS1PR1GRM1S1PR4
SCHEMBL5427749 0.84 MAPT (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4715023 0.83 NPC1 (0.43) THRATHRBS1PR1GRM1S1PR4

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.