SCHEMBL7078743

SCHEMBL7078743

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PLAAT3 P53816 1/20 0.44
▸ PLAAT5 Q96KN8 1/20 0.44
▸ PLAAT2 Q9NWW9 1/20 0.44
▸ PLAAT4 Q9UL19 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL7078775 0.87 MTNR1A (0.51) GRIK1RAB9AALOX5PPARGKMT2A
SCHEMBL7080529 0.87 GRIK1 (0.57) GRIK1RAB9AMMP1MMP2MMP3
SCHEMBL7078512 0.84 ALDH1A1 (0.46) NPC1RAB9AMMP1MMP2MMP3
SCHEMBL7074193 0.84 PPARG (0.56) PPARGPPARAMAPTPKMNPSR1
SCHEMBL7073227 0.84 GRIK1 (0.52) GRIK1MMP1MMP2MMP3
SCHEMBL7077707 0.84 GRIK1 (0.49) GRIK1MMP1MMP2MMP3ALDH1A1
SCHEMBL7079181 0.83 PLA2G2A (0.49) GRIK1ALOX5PPARGPPARAMAPT
SCHEMBL7073559 0.83 PDE4B (0.48) NPC1RAB9AMMP2PDE4BALDH1A1
SCHEMBL7073638 0.83 MMP1 (0.47) NPC1RAB9AMMP1MMP2MMP3
SCHEMBL1856418 0.83 ALDH1A1 (0.56) GRIK1NPC1RAB9AMMP1MMP2

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-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

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 GRIK1 701/4885NPC1 3190/4885RAB9A 3637/4885

“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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