SCHEMBL1346042

SCHEMBL1346042

CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.39
▸ CA2 P00918 11/20 0.39
▸ MMP1 P03956 4/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ MMP9 P14780 4/20 0.39
▸ MMP8 P22894 4/20 0.39
▸ MMP13 P45452 4/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL28498811 0.77 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL17725466 0.75 SMN1; SMN2 (0.43) CA1CA2HSD11B1CA9
Tert-Butylbenzene SCHEMBL28573150 0.74 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL449214 0.73 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL27617782 0.72 HSD11B1 (0.41) HSD11B1PPARGPPARACYP2C19
SCHEMBL6479936 0.70 CA2 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL31495940 0.70 KMT2A (0.42) PPARGPPARACYP2C19
SCHEMBL379586 0.69 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL28364160 0.69 CXCR2 (0.42) HSD11B1PPARGPPARACYP2C9CYP2C19
SCHEMBL6900759 0.68 CA2 (0.46) CA1CA2MMP1MMP2MMP9

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 6 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
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 CA1 2561/4885CA2 1978/4885MMP1 285/4885

“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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