SCHEMBL6786967

SCHEMBL6786967

CC(C)C(CS(=O)(=O)N1CCc2c(oc3ccccc23)C1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ MTHFD2 P13995 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6788423 0.86 HDAC1 (0.40) HDAC1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6783587 0.84 HDAC1 (0.44) HDAC1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6347674 0.75 ESR2 (0.38) SIGMAR1
SCHEMBL7237312 0.73 POLB (0.30) L3MBTL1
SCHEMBL6788424 0.72 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL6349073 0.70 ESR2 (0.36) —
SCHEMBL7239714 0.68 PROKR1 (0.41) MEN1KMT2AL3MBTL1MAPT
SCHEMBL7238651 0.67 MAPK1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6787059 0.66 MMP13 (0.42) ALDH1A1MEN1KMT2AMMP13MAPT
SCHEMBL13203884 0.65 SIGMAR1 (0.45) HDAC1SIGMAR1MTHFD2NPC1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2004-09-09 — — US disclosed
US-6734189-B2 TETRAHYDRO-N-CARBOXYALKYLSULFONYLCARBOLINE DERIVATIVES, USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM, ADAM-TS ENZYMES, AND/OR TNF ALPHA -MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2004-05-11 — — US disclosed
EP-1286994-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-05 — — EP disclosed
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2003-02-13 — — US disclosed
US-6469020-B2 AS INHIBITORS OF MATRIX METALLOPROTEINASE, FOR THERAPY OF DISEASES SUCH AS DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY, LTD. (GB) 2002-10-22 — — US disclosed
US-20020013333-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-01-31 — — US disclosed
WO-2001087883-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 — — 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 (3 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-20020013333-A1 Hydroxamic and carboxylic acid derivatives HCAR2, HCAR1, CBR1 HDAC1 135/4885ALDH1A1 963/4885MEN1 4434/4885
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 HDAC1 67/4885ALDH1A1 228/4885MEN1 1882/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 HDAC1 67/4885ALDH1A1 228/4885MEN1 1882/4885

“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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