SCHEMBL710410

SCHEMBL710410

CC(C(=O)O)c1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.52
AKR1C2 P52895 3/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.43
PTGS2 P35354 4/20 0.41
PTGS1 P23219 1/20 0.41
EPHX2 P34913 5/20 0.40
AKR1C1 Q04828 1/20 0.39
ESR1 P03372 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37

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
SCHEMBL710096 0.88 PTGDR2 (0.39) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL27842486 0.84 PTGS2 (0.41) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL27823505 0.84 PTGDR2 (0.44) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL13354101 0.80 PTGS1 (0.37) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL709910 0.79 PTGDR2 (0.54) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL10374155 0.77 AKR1C3 (0.51) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL10374072 0.76 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL709951 0.74 PTGDR2 (0.44) AKR1C3AKR1C2PTGDR2PTGS2PTGS1
SCHEMBL27842431 0.74 PTGS2 (0.42) PTGDR2PTGS2PTGS1ESR1
SCHEMBL11460496 0.73 AKR1B1 (0.47) AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN claimed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US claimed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO claimed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 AKR1C3 120/4885AKR1C2 184/4885PTGDR2 39/4885

“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.