SCHEMBL2063189

SCHEMBL2063189

CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.50
▸ ACE P12821 1/20 0.50
▸ CCKBR P32239 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ CTRB1 P17538 1/20 0.44

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
SCHEMBL27706581 1.00 CASP1 (0.50) CASP1ACECCKBRKLK5MMP1
SCHEMBL30291800 0.88 ACE (0.60) ACEKLK5MMP1MMP3MMP9
SCHEMBL30887591 0.88 ACE (0.60) ACEKLK5MMP1MMP3MMP9
SCHEMBL13492840 0.83 MMP1 (0.48) ACEMMP1MMP3MMP9CTSS
SCHEMBL19418905 0.81 MAPT (0.56) CASP1HDAC2HDAC8HDAC6MAPT
SCHEMBL22361824 0.81 MAPT (0.56) CASP1HDAC2HDAC8HDAC6MAPT
SCHEMBL16689484 0.81 CASP1 (0.59) CASP1CTSSCTSK
SCHEMBL2619551 0.81 CASP1 (0.59) CASP1CTSSCTSK
SCHEMBL45447 0.81 CASP1 (0.59) CASP1CTSSCTSK
SCHEMBL19567138 0.81 ACE (0.63) ACEKLK5MMP1MMP3MMP9

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 6 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
CN-101166726-A Quinoline and quinoxaline derivatives as inhibitors of kinase enzyme activity CHROMA THERAPEUTICS LTD (GB) 2008-04-23 — — CN 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 CASP1 2078/4885ACE 536/4885CCKBR 2950/4885

“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.

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