SCHEMBL17695397

SCHEMBL17695397

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCl)[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
USP30 Q70CQ3 7/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL17693025 1.00 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL1220340 1.00 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL15387793 1.00 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL1220339 1.00 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL23150505 0.90 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL23150503 0.90 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL29068374 0.90 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL23150504 0.90 EPHX1 (0.44) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL16217175 0.84 EPHX1 (0.48) EPHX1USP30HPGDMEN1ALDH1A1
SCHEMBL27659323 0.84 HSD11B1 (0.48) EPHX1USP30HPGDMEN1ALDH1A1

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
US-9981969-B2 Imidazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-29 US disclosed
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-04-21 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-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A4, CYP3A7 EPHX1 642/4885USP30 1468/4885HPGD 165/4885

“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.