SCHEMBL1346014

SCHEMBL1346014

C[C@H](C(=O)O)c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ITGA1 P56199 1/20 0.43
CXCR2 P25025 2/20 0.42
CXCR1 P25024 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 4/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL1342989 1.00 PTGS2 (0.46) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL13185978 1.00 PTGS2 (0.46) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL1345631 0.83 PTGS2 (0.45) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL1345419 0.83 PTGS2 (0.45) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL1345327 0.81 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL1345199 0.81 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL2835298 0.81 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2MEN1NPC1
SCHEMBL196710 0.79 TDP1 (0.52) MEN1NPC1RAB9AKMT2ASENP8
SCHEMBL30217935 0.79 TDP1 (0.52) MEN1NPC1RAB9AKMT2ASENP8
SCHEMBL1346013 0.76 ALDH1A1 (0.60) PTGS2ITGA1POLB

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 99/4885AKR1C3 767/4885AKR1C2 1094/4885

“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.