SCHEMBL191559

SCHEMBL191559

CC(C)(C)OC(=O)N[C@H](C(=O)OC1CCCC1)c1ccc(Oc2ccc(CN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.50
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ ANPEP P15144 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ NPEPPS P55786 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ TPSAB1 Q15661 1/20 0.38
▸ TPSD1 Q9BZJ3 1/20 0.38
▸ TPSG1 Q9NRR2 1/20 0.38
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL191558 1.00 CACNA1B (0.50) CACNA1BMMP2MMP9ANPEPLTA4H
SCHEMBL193335 0.83 CACNA1B (0.52) CACNA1BCTSSCTSK
SCHEMBL193334 0.83 CACNA1B (0.52) CACNA1BCTSSCTSK
SCHEMBL193280 0.82 CACNA1B (0.52) CACNA1BMMP2MMP9ANPEPLTA4H
SCHEMBL193279 0.82 CACNA1B (0.52) CACNA1BMMP2MMP9ANPEPLTA4H
SCHEMBL192802 0.82 CACNA1B (0.49) CACNA1BMMP2MMP9ANPEPLTA4H
SCHEMBL192801 0.82 CACNA1B (0.49) CACNA1BMMP2MMP9ANPEPLTA4H
SCHEMBL192979 0.81 CACNA1B (0.54) CACNA1B
SCHEMBL192978 0.81 CACNA1B (0.54) CACNA1B
SCHEMBL6347304 0.80 MMP2 (0.53) CACNA1BMMP2MMP9ANPEPLTA4H

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 6 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
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-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
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 — — 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 (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 2547/4885MMP2 177/4885MMP9 549/4885

“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.

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