SCHEMBL193352

SCHEMBL193352

CC(C)(C)OC(=O)NC(CCOc1cccc(N)c1)C(=O)OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.52
KLK7 P49862 4/20 0.39
AAK1 Q2M2I8 2/20 0.38
KLK5 Q9Y337 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAPK14 Q16539 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
SCHEMBL193351 1.00 CACNA1B (0.52) CACNA1BKLK7AAK1KLK5KDM4E
SCHEMBL13667331 0.89 CACNA1B (0.52) CACNA1BKLK7AAK1KDM4EALDH1A1
SCHEMBL8257659 0.88 CACNA1B (0.51) CACNA1BKLK7AAK1HRH2HRH1
SCHEMBL2740535 0.88 CACNA1B (0.51) CACNA1BKLK7AAK1HRH2HRH1
SCHEMBL193656 0.85 CACNA1B (0.49) CACNA1B
SCHEMBL193655 0.85 CACNA1B (0.49) CACNA1B
SCHEMBL12395409 0.85 TDP1 (0.41) CACNA1BKDM4EALDH1A1TDP1MAPK14
SCHEMBL192979 0.85 CACNA1B (0.54) CACNA1BKLK7KLK5ALDH1A1HRH2
SCHEMBL192978 0.85 CACNA1B (0.54) CACNA1BKLK7KLK5ALDH1A1HRH2
SCHEMBL1147671 0.83 CACNA1B (0.47) CACNA1BKLK7AAK1KLK5ITGB3

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
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
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP 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 2547/4885KLK7 4697/4885AAK1 4064/4885

“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.