SCHEMBL888936

SCHEMBL888936

COC(=O)N[C@H](C(=O)N1CC[C@H]1CNC(=O)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.39
CYP2C9 P11712 5/20 0.39
NR1I2 O75469 2/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CYP1A2 P05177 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CYP2D6 P10635 2/20 0.35
CCR1 P32246 1/20 0.35
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CAPN1 P07384 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
SCHEMBL12771365 1.00 CYP3A4 (0.39) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888989 0.93 DPP4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888937 0.92 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824321 0.89 DPP4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15691828 0.89 DPP4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888917 0.82 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888928 0.82 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824174 0.81 DPP4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824563 0.81 CYP3A4 (0.41) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824316 0.81 DPP4 (0.45) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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 (4 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
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C9 394/4885NR1I2 353/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C9 394/4885NR1I2 353/4885
US-20110070197-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.