Sugi Predict

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SCHEMBL4655554

SCHEMBL4655554

CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccncc3)cs2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ ATP4A P20648 2/20 0.39
▸ ATP4B P51164 2/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ GRM1 Q13255 6/20 0.38

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
SCHEMBL4656609 0.92 MAPK14 (0.47) ATP4AATP4BTHRATHRBMEN1
SCHEMBL4656706 0.92 NPC1 (0.43) CYP3A4ATP4AATP4BTHRATHRB
SCHEMBL5425206 0.90 MAPK14 (0.46) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL4656700 0.89 NPC1 (0.42) CYP3A4ATP4AATP4BTHRATHRB
SCHEMBL5430460 0.89 NPC1 (0.39) CYP3A4AAK1ATP4AATP4BTHRA
SCHEMBL5428996 0.89 MEN1 (0.41) ATP4AATP4BTHRATHRBMEN1
SCHEMBL4655569 0.89 GRM1 (0.44) THRATHRBALDH1A1GRM1S1PR1
SCHEMBL4656607 0.88 NPC1 (0.42) ATP4AATP4BTHRATHRBMEN1
SCHEMBL4715397 0.88 THRA (0.41) CYP3A4AAK1ATP4AATP4BTHRA
SCHEMBL4656434 0.87 ENPP2 (0.48) THRATHRBMEN1NPC1ALDH1A1

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 CYP3A4 803/4885AAK1 2082/4885ATP4A 2766/4885

“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.