SCHEMBL2064385

SCHEMBL2064385

CCOC(=O)[C@H](CCBr)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.53
CTSS P25774 4/20 0.53
CTSK P43235 6/20 0.52
CTSB P07858 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
KYNU Q16719 1/20 0.49
TACR1 P25103 2/20 0.49

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
SCHEMBL2064388 1.00 CTSL (0.53) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL2064380 0.92 CTSK (0.53) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL2064382 0.92 CTSK (0.53) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL29383012 0.89 KYNU (0.60) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL1111168 0.89 KYNU (0.60) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL6139194 0.89 CTSL (0.61) CTSLCTSSCTSKCTSB
SCHEMBL27616333 0.89 CTSL (0.61) CTSLCTSSCTSKCTSB
SCHEMBL1111096 0.89 KYNU (0.60) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL1111092 0.89 KYNU (0.60) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL29399827 0.88 CTSL (0.54) CTSLCTSSCTSKCTSBALDH1A1

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
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO 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-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 CTSL 1208/4885CTSS 798/4885CTSK 622/4885

“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.