SCHEMBL6440663

SCHEMBL6440663

CCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.64
CTSB P07858 2/20 0.64
CTSS P25774 2/20 0.64
CTSK P43235 2/20 0.64
ALDH1A1 P00352 1/20 0.63
ALOX15 P16050 1/20 0.63
TACR1 P25103 3/20 0.62
CTRB1 P17538 2/20 0.58
TYR P14679 1/20 0.58

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
SCHEMBL6440666 1.00 CTSL (0.64) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL29480462 0.95 CTSL (0.66) CTSLCTSBCTSSCTSKTACR1
SCHEMBL11199738 0.95 CTSL (0.62) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL6898524 0.94 TACR1 (0.62) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL10964365 0.93 MMP8 (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5887348 0.92 CTSL (0.57) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5887352 0.92 CTSL (0.57) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL2857463 0.92 CTSL (0.57) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5887289 0.92 CTSL (0.57) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL2857464 0.92 CTSL (0.57) CTSLCTSBCTSSCTSKALDH1A1

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-6924397-B2 Process for the preparation of α-chloroketones from alkyl esters BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 US disclosed
US-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-0156279-B1 A NOVEL PROCESS FOR THE PREPARATION OF BESTATIN DERIVATIVES AND INTERMEDIATES THEREOF MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1989-09-13 EP disclosed
EP-0156279-A2 A novel process for the preparation of bestatin derivatives and intermediates thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1985-10-02 EP 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-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS KHK, BCKDK, STS CTSL 418/4885CTSB 771/4885CTSS 430/4885

“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.