SCHEMBL4715023

SCHEMBL4715023

CCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
GFER P55789 1/20 0.43
GRM1 Q13255 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
S1PR1 P21453 5/20 0.39
RAB9A P51151 4/20 0.38
ALOX15 P16050 1/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4656700 0.93 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4655649 0.92 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4658007 0.92 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4656607 0.92 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL5423067 0.91 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL5428290 0.91 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL4655587 0.91 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL4790526 0.91 NPC1 (0.40) NPC1GFERGRM1THRATHRB
SCHEMBL10098815 0.91 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL4656448 0.91 NPC1 (0.41) NPC1GFERGRM1THRATHRB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 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

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

For each of this compound's patents that has machine-readable text (2 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-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity BCAT1, CCNT1, EIF2AK2 NPC1 1930/4885GFER 994/4885GRM1 3288/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 NPC1 1995/4885GFER 1257/4885GRM1 3227/4885

“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.