SCHEMBL2171785

SCHEMBL2171785

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.44
GAA P10253 2/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE10A Q9Y233 1/20 0.39
RORC P51449 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL2171631 0.89 PTGS1 (0.52) CA5AGAAPTGS1AKR1C3AKR1C2
SCHEMBL2172705 0.84 PTGDR2 (0.42) PTGS1AKR1C3AKR1C2ALDH1A1PTGDR2
SCHEMBL2172587 0.84 PTGDR2 (0.48) PTGDR2AKR1B1
SCHEMBL2172623 0.83 SRD5A2 (0.40) PTGS1AKR1C3AKR1C2ALDH1A1PTGDR2
SCHEMBL2172667 0.83 PTGDR2 (0.43) PTGDR2NR3C1AKR1B1
SCHEMBL13356163 0.83 GAA (0.41) CA5AGAAPTGS1AKR1C3AKR1C2
SCHEMBL2172897 0.81 PTGDR2 (0.46) PTGS1AKR1C3AKR1C2RORCPTGDR2
SCHEMBL2174900 0.81 PTGDR2 (0.54) RORCPTGDR2NR3C1AKR1B1
SCHEMBL2171562 0.78 PTGDR2 (0.46) PTGDR2
SCHEMBL2171534 0.77 PTGS1 (0.46) CA5APTGS1AKR1C3AKR1C2HTT

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-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-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP 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 CA5A 1363/4885GAA 671/4885PTGS1 601/4885

“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.