SCHEMBL14664152

SCHEMBL14664152

C[C@H](NC(=O)Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CNR2 P34972 6/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.54
PSMB8 P28062 1/20 0.52
PSMB5 P28074 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CNR1 P21554 1/20 0.51
EPHX2 P34913 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL2177223 0.83 POLB (0.63) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL2177216 0.83 POLB (0.63) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL8035990 0.83 POLB (0.63) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL12401203 0.83 MEN1 (0.54) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL27343284 0.81 POLB (0.61) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL15743800 0.81 POLB (0.61) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL5842514 0.80 POLB (0.59) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL7674546 0.79 POLB (0.67) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL9783328 0.79 POLB (0.67) POLBCNR2ALDH1A1HPGDMEN1
SCHEMBL11216442 0.79 MAPT (0.63) POLBCNR2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 POLB 2039/4885CNR2 4697/4885ALDH1A1 3778/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 POLB 2039/4885CNR2 4697/4885ALDH1A1 3778/4885

“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.