SCHEMBL707962

SCHEMBL707962

COC(=O)Cc1cc(C(OC)c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
EPHX2 P34913 4/20 0.37
CCR5 P51681 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
EDNRA P25101 1/20 0.34
MAPK1 P28482 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL711892 0.91 PTGDR2 (0.50) PTGDR2CYP1A2GLACYP3A4MAPT
SCHEMBL711075 0.89 PTGDR2 (0.43) PTGDR2EPHX2PTGS2CYP1A2GLA
SCHEMBL709413 0.79 PTGDR2 (0.38) PTGDR2
SCHEMBL709951 0.78 PTGDR2 (0.44) PTGDR2EPHX2PTGS2
SCHEMBL2174226 0.78 PTGDR2 (0.44) PTGDR2PTGS2
SCHEMBL708188 0.77 PTGDR2 (0.53) PTGDR2CYP1A2GLACYP3A4MAPT
SCHEMBL710381 0.73 PTGDR2 (0.44) PTGDR2
SCHEMBL2171906 0.73 HSP90AB1 (0.50) MAPTTSHRHSD17B10
SCHEMBL709863 0.73 PTGDR2 (0.55) PTGDR2PTGS2
SCHEMBL1096091 0.71 CYP4F2 (0.58) EPHX2MAPT

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 9 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 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
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 PTGDR2 39/4885EPHX2 757/4885CCR5 1514/4885

“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.