SCHEMBL1345176

SCHEMBL1345176

C[C@H](C(=O)O)c1ccc(CC2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 14/20 0.65
▸ PTGS2 P35354 13/20 0.65
▸ MT-CO1 P00395 1/20 0.65
▸ MT-CO2 P00403 1/20 0.65
▸ OPRK1 P41145 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ KEAP1 Q14145 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ LMNA P02545 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ AKR1C3 P42330 2/20 0.54
▸ CXCR1 P25024 2/20 0.54
▸ CXCR2 P25025 2/20 0.54
▸ ALB P02768 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ RARB P10826 1/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ NFKB1 P19838 1/20 0.54

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
SCHEMBL9063258 1.00 PTGS1 (0.65) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL24307189 0.98 PTGS1 (0.67) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9063786 0.98 PTGS1 (0.67) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11195904 0.84 PTGS1 (0.64) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL1345174 0.82 LTB4R (0.46) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11185009 0.82 KEAP1 (0.50) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL10883113 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9063276 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL23190505 0.82 KEAP1 (0.48) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9139198 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229942-B1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPE SPA (IT) 2012-08-29 — — EP disclosed
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 — — US disclosed
EP-2229942-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2010-09-22 — — EP disclosed
US-20050038119-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2005-02-17 — — 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-20050038119-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them CXCR2, FPR1, CCR2 PTGS1 88/4885PTGS2 99/4885MT-CO1 1654/4885

“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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