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SCHEMBL1479040

SCHEMBL1479040

COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@H]2C[C@H]1c1nc(-c2cccc(C#Cc3cccc(-c4c[nH]c([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@H](C(C)C)N(C)C(=O)O)n4)c3)c2)c[nH]1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.33
▸ CYP2C9 P11712 4/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ NR1I2 O75469 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL1479038 1.00 CYP3A4 (0.33) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1481094 0.92 CYP3A4 (0.37) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1481097 0.92 CYP3A4 (0.37) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1478394 0.92 CYP3A4 (0.37) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1478399 0.92 CYP3A4 (0.37) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1293769 0.91 CYP3A4 (0.34) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1293765 0.91 CYP3A4 (0.34) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16223475 0.91 CYP3A4 (0.35) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16223473 0.91 CYP3A4 (0.35) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL11898245 0.90 CYP3A4 (0.41) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — 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-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP3A4 3387/4885CYP2C9 3941/4885KCNH2 4814/4885

“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.