SCHEMBL7077695

SCHEMBL7077695

CC(C)C(CS(=O)(=O)CCCOc1ccccc1)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MMP13 P45452 5/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ CASP1 P29466 2/20 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
SCHEMBL7080648 0.88 PKM (0.44) MMP2MMP9MMP8L3MBTL1HPGD
SCHEMBL7078124 0.88 MEN1 (0.44) HDAC1MMP13MMP2MMP9MMP8
SCHEMBL7078220 0.77 MEN1 (0.45) L3MBTL1ALDH1A1
SCHEMBL6947449 0.68 HRH3 (0.46) HDAC1MMP13MMP2MMP9MMP8
SCHEMBL17286583 0.68 MTNR1A (0.45) L3MBTL1HPGDALDH1A1
SCHEMBL7076018 0.67 PKM (0.44) HDAC1HDAC2L3MBTL1HPGDALDH1A1
SCHEMBL7245161 0.66 KCNA3 (0.58) HDAC1HDAC2L3MBTL1
SCHEMBL5704316 0.66 KCNA3 (0.58) HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL6160049 0.66 CASP1 (0.66) L3MBTL1HPGDALDH1A1CASP1
SCHEMBL10575521 0.65 KCNA3 (0.56) HDAC1HDAC2L3MBTL1ALDH1A1

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-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 — — US claimed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 — — US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 — — 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 HDAC1 49/4885HDAC2 110/4885MMP13 1/4885

“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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