SCHEMBL8249430

SCHEMBL8249430

CC(C)(C)OC(=O)N[C@H](C(=O)OC1CCCC1)C1C=CC(Oc2ccc(CN)cc2)=CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.44
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ AAK1 Q2M2I8 2/20 0.31
▸ CTSL P07711 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ REN P00797 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ ACE P12821 1/20 0.30

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
SCHEMBL2740271 0.85 CACNA1B (0.46) CACNA1BCTSLREN
SCHEMBL2740593 0.81 CACNA1B (0.45) CACNA1BCTSLACE
SCHEMBL2740741 0.79 CACNA1B (0.41) CACNA1BAAK1CTSL
SCHEMBL191559 0.77 CACNA1B (0.50) CACNA1BTPSAB1TPSD1TPSG1SCN9A
SCHEMBL191558 0.77 CACNA1B (0.50) CACNA1BTPSAB1TPSD1TPSG1SCN9A
SCHEMBL192979 0.73 CACNA1B (0.54) CACNA1BALDH1A1LMNA
SCHEMBL192978 0.73 CACNA1B (0.54) CACNA1BALDH1A1LMNA
SCHEMBL191340 0.71 CACNA1B (0.51) CACNA1BALDH1A1LMNAAAK1ACACB
SCHEMBL191339 0.71 CACNA1B (0.51) CACNA1BALDH1A1LMNAAAK1ACACB
SCHEMBL2740739 0.69 CTSL (0.46) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2547/4885TPSAB1 1142/4885TPSD1 772/4885

“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