SCHEMBL1346172

SCHEMBL1346172

CC1CCc2ccc(C(C)C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
PTGS1 P23219 9/20 0.44
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.40
MT-CO1 P00395 1/20 0.40
MT-CO2 P00403 1/20 0.40

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
SCHEMBL15087102 0.76 PTGS2 (0.44) PTGS2PTGS1AKR1C3AKR1C2CDC42
SCHEMBL25368020 0.74 HTR2A (0.33)
SCHEMBL11529154 0.73 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2CDC42
SCHEMBL29111695 0.72 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2CDC42
SCHEMBL27559442 0.72 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2CDC42
SCHEMBL9863066 0.71 CYP2D6 (0.36) HTTKMT2A
SCHEMBL20510027 0.70 ASIC3 (0.46) PTGS2PTGS1AKR1C3AKR1C2CDC42
SCHEMBL6630304 0.70 PNMT (0.48)
SCHEMBL23612449 0.69 KARS1 (0.40) PTGS1TSHRHTTKMT2A
SCHEMBL11328092 0.69 PBRM1 (0.50) PTGS2PTGS1AKR1C3AKR1C2CDC42

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 11 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
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
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
EP-2229942-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2010-09-22 EP disclosed
CN-100376242-C 2-aryl-propionic acid and medicine composition containing same DOMPAY CO LTD (IT) 2008-03-26 CN disclosed
CN-1612729-A 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPAY CO LTD (IT) 2005-05-04 CN disclosed
US-20050038119-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2005-02-17 US disclosed
EP-1455773-A1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2004-09-15 EP disclosed
WO-2003043625-A1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2003-05-30 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-20050038119-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them CXCR2, FPR1, CCR2 PTGS2 99/4885PTGS1 88/4885AKR1C3 767/4885

“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.