SCHEMBL3489591

SCHEMBL3489591

C=CC1CC1N(C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)[C@H](CCC(=O)/C=C/C1CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3489293 0.92 CYP3A4 (0.32) CYP3A4
SCHEMBL16415250 0.85 CYP3A4 (0.47) CYP3A4
SCHEMBL16415248 0.85 CYP3A4 (0.47) CYP3A4
SCHEMBL13473725 0.85 CYP3A4 (0.47) CYP3A4
SCHEMBL6886528 0.84 CYP3A4 (0.47) CYP3A4
SCHEMBL18867038 0.84 CYP3A4 (0.47) CYP3A4
SCHEMBL13473731 0.84 CYP3A4 (0.47) CYP3A4
SCHEMBL13500003 0.84 CYP3A4 (0.47) CYP3A4
SCHEMBL6886900 0.83 ELANE (0.35)
SCHEMBL18867206 0.83 CYP3A4 (0.48) CYP3A4

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
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 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-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885

“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.