SCHEMBL6436627

SCHEMBL6436627

CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.62
CTSB P07858 3/20 0.62
CTSS P25774 3/20 0.62
CTSK P43235 2/20 0.62
CASP3 P42574 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
CASP8 Q14790 1/20 0.58
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
CAPN1 P07384 2/20 0.57
ELANE P08246 2/20 0.56
PRTN3 P24158 1/20 0.56
CCR1 P32246 2/20 0.56
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL8346816 1.00 CTSL (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL17704241 1.00 CTSL (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL10885791 0.90 CTSL (0.60) CTSLCTSBCTSSCTSKCASP3
SCHEMBL16646237 0.90 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL1287168 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL8671882 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL2978398 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL220569 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL1688741 0.88 CTSL (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL1908598 0.88 CTSK (0.62) CTSLCTSBCTSSCTSKCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017156071-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
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

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-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS KHK, BCKDK, STS CTSL 418/4885CTSB 771/4885CTSS 430/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 CTSL 223/4885CTSB 1115/4885CTSS 471/4885

“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.