SCHEMBL2740593

SCHEMBL2740593

CC(C)(C)OC(=O)N[C@H](C(=O)OC1CCCC1)C1C=CC(OCc2ccccc2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 5/20 0.45
▸ CTSL P07711 1/20 0.42
▸ KLK7 P49862 5/20 0.41
▸ KLK5 Q9Y337 3/20 0.41
▸ SYK P43405 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ ACE P12821 1/20 0.36

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
SCHEMBL2740739 0.89 CTSL (0.46) CTSLKLK7KLK5SYKPPARA
SCHEMBL2740740 0.87 PPARA (0.45) CTSLKLK7KLK5SYKPPARA
SCHEMBL2740271 0.85 CACNA1B (0.46) CACNA1BCTSLKLK7KLK5SYK
SCHEMBL8249430 0.81 CACNA1B (0.44) CACNA1BCTSLACE
SCHEMBL2740741 0.80 CACNA1B (0.41) CACNA1BCTSLCTSS
SCHEMBL193279 0.75 CACNA1B (0.52) CACNA1BCTSSYAP1
SCHEMBL193280 0.75 CACNA1B (0.52) CACNA1BCTSSYAP1
SCHEMBL192655 0.73 YAP1 (0.59) CACNA1BKLK7KLK5YAP1ACE
SCHEMBL192656 0.73 YAP1 (0.59) CACNA1BKLK7KLK5YAP1ACE
SCHEMBL5820678 0.73 CTSS (0.57) CACNA1BCTSLKLK5CTSSACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 — — EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 — — US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 — — US disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 CACNA1B 2547/4885CTSL 1280/4885KLK7 4697/4885

“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.

Send feedback