SCHEMBL1491585

SCHEMBL1491585

O=C(CCCOc1ccc(CC(=O)N(C(=O)NO)c2ccc3sccc3c2)cc1)NC(Cc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
YAP1 P46937 1/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1491443 0.89 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL1491583 0.75 HDAC1 (0.56) CTSLITGB3ITGA2BHDAC1HDAC6
SCHEMBL12660767 0.71 HDAC1 (0.46) CTSLITGB3ITGA2BYAP1HDAC1
SCHEMBL12672779 0.67 HDAC1 (0.43) CTSLITGB3ITGA2BHDAC1HDAC6
SCHEMBL23643095 0.66 CTSL (0.53) CTSLEPHX2MEN1ALDH1A1KMT2A
SCHEMBL25769241 0.66 CTSL (0.53) CTSLEPHX2MEN1ALDH1A1KMT2A
SCHEMBL25769231 0.66 CTSL (0.53) CTSLEPHX2MEN1ALDH1A1KMT2A
SCHEMBL31723024 0.65 GRIA1 (0.50) CTSLITGB3ITGA2BYAP1ALDH1A1
SCHEMBL25769206 0.64 PSEN1 (0.51) CTSLEPHX2KDM4EALDH1A1
SCHEMBL23642933 0.64 PSEN1 (0.51) CTSLEPHX2KDM4EALDH1A1

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 8 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
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
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS 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 (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 CTSL 2032/4885ITGB3 2878/4885ITGA2B 2142/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CTSL 848/4885ITGB3 1221/4885ITGA2B 2369/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CTSL 2209/4885ITGB3 968/4885ITGA2B 1999/4885

“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.