Sugi Predict

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SCHEMBL2281464

SCHEMBL2281464

COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(C#Cc3ccc4c(ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@H](C6CCOCC6)N(C)C(=O)O)[nH]c54)c3)ccc2[nH]1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL2276281 0.92 CYP2C9 (0.35) CYP2C9KCNH2
SCHEMBL14937311 0.91 CYP2C9 (0.33) CYP2C9KCNH2
SCHEMBL3053238 0.89 — —
SCHEMBL10202484 0.89 CYP2C9 (0.37) CYP2C9KCNH2
SCHEMBL3053383 0.88 — —
SCHEMBL3053387 0.88 — —
SCHEMBL19458492 0.85 — —
SCHEMBL2279152 0.85 MAPK1 (0.31) —
SCHEMBL20531222 0.84 CYP2C9 (0.35) CYP2C9KCNH2
SCHEMBL20531211 0.83 CYP2C9 (0.34) CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP claimed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US claimed

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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885

“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.