SCHEMBL7078512

SCHEMBL7078512

COc1ccc(SCC(CCCc2ccccc2)C(C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MMP1 P03956 4/20 0.45
▸ MMP2 P08253 4/20 0.45
▸ MMP3 P08254 4/20 0.45
▸ PDE4A P27815 4/20 0.45
▸ PDE4B Q07343 4/20 0.45
▸ PDE4C Q08493 4/20 0.45
▸ PDE4D Q08499 4/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ PLAAT3 P53816 1/20 0.42
▸ PLAAT5 Q96KN8 1/20 0.42
▸ PLAAT2 Q9NWW9 1/20 0.42
▸ PLAAT4 Q9UL19 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL7078743 0.84 GRIK1 (0.48) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL7073638 0.80 MMP1 (0.47) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL7078506 0.78 MMP1 (0.48) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL6823122 0.78 MMP3 (0.51) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL7075534 0.77 PPARG (0.58) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL7074193 0.74 PPARG (0.56) PPARGPPARAMAPTPKMNPSR1
Acetic Acid Methyl Ester SCHEMBL10581477 0.73 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2AALOX5
SCHEMBL7073434 0.73 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AKMT2AALOX5
SCHEMBL12264723 0.72 MMP2 (0.49) ALDH1A1MMP2NPC1RAB9APPARG
SCHEMBL10419271 0.72 PPARG (0.56) MMP1MMP2MMP3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 — — US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 — — EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 — — 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ALDH1A1 408/4885MMP1 16/4885MMP2 2/4885

“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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