SCHEMBL888972

SCHEMBL888972

COC(=O)N[C@H](C(=O)N1CCC[C@H]1CNc1nc2ccc(-c3ccc4nc(NC[C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)sc4c3)cc2s1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
CYP2C9 P11712 5/20 0.47
NR1I2 O75469 2/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.42
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL889120 0.89 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL889121 0.88 CYP3A4 (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888995 0.88 CYP3A4 (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12052546 0.81 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888992 0.79 L3MBTL1 (0.59) PIK3CAPI4KAPIK3CGPI4KBHCRTR1
SCHEMBL12034475 0.78 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL889116 0.76 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824213 0.75 CYP3A4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888953 0.75 CYP3A4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888962 0.74 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C9 394/4885NR1I2 353/4885

“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.