SCHEMBL2172897

SCHEMBL2172897

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc3ccc(OC(F)(F)F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.46
AKR1B1 P15121 1/20 0.41
RORC P51449 7/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGS2 P35354 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 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
SCHEMBL3233360 0.88 PTGDR2 (0.40) PTGDR2RORCPTGS2PTGS1
SCHEMBL2174900 0.88 PTGDR2 (0.54) PTGDR2AKR1B1RORCTHRATHRB
SCHEMBL2172587 0.87 PTGDR2 (0.48) PTGDR2AKR1B1
SCHEMBL2171631 0.87 PTGS1 (0.52) PTGDR2RORCPTGS1AKR1C3AKR1C2
SCHEMBL2172705 0.85 PTGDR2 (0.42) PTGDR2AKR1B1PTGS1AKR1C3AKR1C2
SCHEMBL2172623 0.84 SRD5A2 (0.40) PTGDR2AKR1B1PTGS1AKR1C3AKR1C2
SCHEMBL2171785 0.81 CA5A (0.44) PTGDR2AKR1B1RORCPTGS1AKR1C3
SCHEMBL2171562 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL2172667 0.80 PTGDR2 (0.43) PTGDR2AKR1B1SLC6A4
SCHEMBL2176532 0.78 PTGDR2 (0.54) PTGDR2SLC6A4

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 12 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
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 PTGDR2 49/4885AKR1B1 253/4885RORC 58/4885

“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.