SCHEMBL193334

SCHEMBL193334

CC(C)(C)OC(=O)NC(C(=O)OC1CCCC1)c1ccc(Oc2ccc(CNC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 5/20 0.52
▸ REN P00797 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ KLK7 P49862 2/20 0.43
▸ KLK5 Q9Y337 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43

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
SCHEMBL193335 1.00 CACNA1B (0.52) CACNA1BRENNTSR1KLK7KLK5
SCHEMBL193279 0.86 CACNA1B (0.52) CACNA1BCTSSCTSK
SCHEMBL193280 0.86 CACNA1B (0.52) CACNA1BCTSSCTSK
SCHEMBL376125 0.84 CACNA1B (0.56) CACNA1BRENKLK7KLK5CTSK
SCHEMBL376126 0.84 CACNA1B (0.56) CACNA1BRENKLK7KLK5CTSK
SCHEMBL191558 0.83 CACNA1B (0.50) CACNA1BCTSSCTSK
SCHEMBL191559 0.83 CACNA1B (0.50) CACNA1BCTSSCTSK
SCHEMBL2740271 0.81 CACNA1B (0.46) CACNA1BRENNTSR1KLK7KLK5
SCHEMBL194098 0.80 CACNA1B (0.53) CACNA1BRENKLK7KLK5CTSS
SCHEMBL6347304 0.79 MMP2 (0.53) CACNA1BCTSSCTSK

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 2547/4885REN 2769/4885NTSR1 875/4885

“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