SCHEMBL1344832

SCHEMBL1344832

C[C@H](C(=O)O)c1ccc(CS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 12/20 0.54
AKR1C3 P42330 4/20 0.54
CXCR2 P25025 4/20 0.54
CXCR1 P25024 3/20 0.54
AKR1C2 P52895 3/20 0.54
LMNA P02545 2/20 0.54
CYP2C9 P11712 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
HTR2A P28223 1/20 0.54
NR1I3 Q14994 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
CXCL8 P10145 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 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
SCHEMBL1343669 1.00 PTGS2 (0.54) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL13604937 0.81 PTGS2 (0.50) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL16413957 0.76 PTGS2 (0.59) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL1345594 0.75 PTGS2 (0.54) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL1345639 0.75 PTGS2 (0.54) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL16434147 0.75 CA2 (0.48) PTGS1LMNANFKB1TSHRBLM
SCHEMBL7622372 0.74 PTGS2 (0.67) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL10825029 0.74 PTGS2 (0.67) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL245190 0.74 CXCR2 (0.69) PTGS2PTGS1AKR1C3CXCR2CXCR1
SCHEMBL1345636 0.74 CXCR2 (0.69) PTGS2PTGS1AKR1C3CXCR2CXCR1

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
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 claimed
EP-1455773-B1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-04 EP claimed
US-20050038119-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2005-02-17 US claimed
EP-1455773-A1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2004-09-15 EP claimed
WO-2003043625-A1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2003-05-30 WO claimed
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-1455773-B1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-04 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
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.