Sugi Predict

Sugi Predict / Compounds / SCHEMBL4721050

SCHEMBL4721050

SCHEMBL4721050

CCCCCOc1ccc(N(C(=O)C2CC2)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ GFER P55789 1/20 0.40
▸ UCHL1 P09936 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ATP4A P20648 2/20 0.37
▸ ATP4B P51164 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CPB1 P15086 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 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
SCHEMBL4655588 0.96 UCHL1 (0.39) NPC1GFERUCHL1USP30GRM1
SCHEMBL4656490 0.90 NPC1 (0.42) NPC1GFERUCHL1USP30GRM1
SCHEMBL4715023 0.90 NPC1 (0.43) NPC1GFERGRM1THRATHRB
SCHEMBL4656700 0.89 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4655649 0.88 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4658007 0.88 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL4656607 0.88 NPC1 (0.42) NPC1GFERGRM1THRATHRB
SCHEMBL5428290 0.88 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL5423067 0.88 NPC1 (0.41) NPC1GFERGRM1THRATHRB
SCHEMBL4655587 0.88 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 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 NPC1 1995/4885GFER 1257/4885UCHL1 2847/4885

“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.