SCHEMBL10177299

SCHEMBL10177299

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3cc(-c4[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4C(F)(F)F)ccc3c2)c[nH]1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.58
CYP2C9 P11712 5/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 2/20 0.56
NR1I2 O75469 2/20 0.54
ABCB11 O95342 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL10146000 0.88 CYP3A4 (0.54) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL14914281 0.86 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL20484254 0.86 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL14914285 0.86 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL14914136 0.85 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL14914137 0.85 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL14948309 0.84 CYP3A4 (0.58) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL12107732 0.84 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
Ravidasvir SCHEMBL12565346 0.84 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
Ravidasvir SCHEMBL29403723 0.84 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2

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-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CYP3A4 2538/4885CYP2C9 3984/4885CYP1A2 3511/4885

“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.