SCHEMBL1491396

SCHEMBL1491396

CC(C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.55
CTSL P07711 5/20 0.55
CTSS P25774 5/20 0.55
CACNA1B Q00975 5/20 0.50
SYK P43405 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
CTSB P07858 2/20 0.47

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
SCHEMBL1491395 1.00 CTSK (0.55) CTSKCTSLCTSSCACNA1BSYK
SCHEMBL22975065 0.85 SYK (0.60) CTSKCTSLCTSSCACNA1BSYK
SCHEMBL22975064 0.85 SYK (0.60) CTSKCTSLCTSSCACNA1BSYK
SCHEMBL29401640 0.84 CTSK (0.63) CTSKCTSLCTSSSYKCTSB
SCHEMBL344381 0.84 CTSK (0.63) CTSKCTSLCTSSSYKCTSB
SCHEMBL344382 0.84 CTSK (0.63) CTSKCTSLCTSSSYKCTSB
SCHEMBL7360681 0.83 KLK7 (0.65) CTSLCTSSCACNA1BSYKKLK7
SCHEMBL607263 0.82 CTSK (0.61) CTSKCTSLCTSSSYKCTSB
SCHEMBL1410812 0.82 CTSK (0.61) CTSKCTSLCTSSSYKCTSB
SCHEMBL1409909 0.82 CTSK (0.61) CTSKCTSLCTSSSYKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CTSK 906/4885CTSL 2032/4885CTSS 1102/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CTSK 1751/4885CTSL 848/4885CTSS 608/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CTSK 476/4885CTSL 2209/4885CTSS 1198/4885

“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.