SCHEMBL12599485

SCHEMBL12599485

COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
CYP2C9 P11712 4/20 0.49
KCNH2 Q12809 2/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
DPP4 P27487 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
PEPD P12955 2/20 0.47
XPNPEP1 Q9NQW7 1/20 0.47
POLB P06746 1/20 0.46
ELANE P08246 6/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL15692923 0.96 FKBP1A (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL239407 0.89 ACE (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL242197 0.89 ACE (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12598148 0.89 ACE (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12567110 0.89 ACE (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL239406 0.89 ACE (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12566960 0.89 DPP4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL8352620 0.89 CMA1 (0.51) PEPDXPNPEP1ELANE
SCHEMBL8169782 0.89 DPP4 (0.43) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1985159 0.89 ELANE (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 CYP3A4 1292/4885CYP2C9 3042/4885KCNH2 4483/4885

“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.