SCHEMBL14628771

SCHEMBL14628771

C=CCNC(=O)C(=O)C(C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ CYP3A7 P24462 1/20 0.38
▸ CYP3A43 Q9HB55 1/20 0.38
▸ CTSB P07858 10/20 0.36
▸ CTSL P07711 5/20 0.36
▸ CTSK P43235 4/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL13249274 0.94 CYP3A4 (0.38) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL14628793 0.93 CYP3A4 (0.38) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL14279171 0.93 CTSB (0.38) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL8251122 0.91 CTSB (0.41) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL13225091 0.90 CTSB (0.45) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL13249154 0.89 CYP3A4 (0.33) CYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL13225078 0.89 CTSB (0.38) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL13249269 0.87 CTSB (0.37) CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL13249216 0.85 CTSV (0.41) CTSBCTSLCTSK
SCHEMBL16301701 0.85 CYP3A4 (0.40) CYP3A4CYP3A5CYP3A7CYP3A43CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 — — 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-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 CYP3A4 157/4885CYP3A5 145/4885CYP3A7 136/4885

“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.

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