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SCHEMBL2172254

SCHEMBL2172254

CS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ PTGDR2 Q9Y5Y4 7/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ MMP16 P51512 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ SRD5A2 P31213 1/20 0.39

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
SCHEMBL2176532 0.86 PTGDR2 (0.54) PTGDR2
SCHEMBL2172168 0.85 PTGDR2 (0.44) PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL2172705 0.83 PTGDR2 (0.42) AKR1B1PTGDR2MMP2MMP13PTGS1
SCHEMBL709618 0.77 AKR1B1 (0.44) AKR1B1PTGDR2AKR1C3SRD5A2
SCHEMBL2175751 0.77 PTGDR2 (0.54) PTGS2PTGDR2MMP2MMP9MMP8
SCHEMBL2065275 0.77 SCN9A (0.46) PTGDR2THRATHRBPTGS1AKR1C3
SCHEMBL11562112 0.76 SRD5A2 (0.55) PTGS2PTGDR2MMP2MMP9MMP8
SCHEMBL2171631 0.76 PTGS1 (0.52) PTGDR2MMP2MMP9MMP8MMP12
SCHEMBL2172587 0.76 PTGDR2 (0.48) AKR1B1PTGDR2
SCHEMBL9471924 0.76 MMP2 (0.55) PTGS2PTGDR2MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US claimed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US claimed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 AKR1B1 253/4885PTGS2 667/4885PTGDR2 49/4885

“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.