SCHEMBL194098

SCHEMBL194098

CC(C)(C)OC(=O)N[C@@H](CC1CCC(Oc2ccc(CNC(=O)OCc3ccccc3)cc2)CC1)C(=O)OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 5/20 0.53
▸ REN P00797 3/20 0.49
▸ CTSS P25774 6/20 0.48
▸ CTSK P43235 6/20 0.48
▸ CTSL P07711 4/20 0.48
▸ KLK7 P49862 3/20 0.44
▸ KLK5 Q9Y337 3/20 0.44
▸ HTRA1 Q92743 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41

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
SCHEMBL194097 0.87 CACNA1B (0.51) CACNA1BRENCTSSCTSKCTSL
SCHEMBL376125 0.85 CACNA1B (0.56) CACNA1BRENCTSKKLK7KLK5
SCHEMBL376126 0.85 CACNA1B (0.56) CACNA1BRENCTSKKLK7KLK5
SCHEMBL191339 0.84 CACNA1B (0.51) CACNA1BRENCTSSCTSK
SCHEMBL191340 0.84 CACNA1B (0.51) CACNA1BRENCTSSCTSK
SCHEMBL376037 0.81 ITGB3 (0.51) CACNA1BCTSSCTSKCTSLKLK7
SCHEMBL376038 0.81 ITGB3 (0.51) CACNA1BCTSSCTSKCTSLKLK7
SCHEMBL193335 0.80 CACNA1B (0.52) CACNA1BRENCTSSCTSKKLK7
SCHEMBL193334 0.80 CACNA1B (0.52) CACNA1BRENCTSSCTSKKLK7
SCHEMBL13260654 0.80 CACNA1B (0.52) CACNA1BCTSLKLK7KLK5ITGB3

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 11 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-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
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
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 2769/4885CTSS 901/4885

“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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