SCHEMBL2171550

SCHEMBL2171550

C=Cc1c(CC(=O)OC)cc2ccc(F)cc2c1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
PTGDR2 Q9Y5Y4 12/20 0.37
HTR2C P28335 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL2171825 0.84 CASP3 (0.35) CASP3PTGDR2HTR2CALDH1A1LMNA
SCHEMBL2171085 0.83 CASP3 (0.39) CASP3PTGDR2GAAALDH1A1KDM4E
SCHEMBL2171587 0.82 GAA (0.39) CASP3PTGDR2GAAALDH1A1KDM4E
SCHEMBL709958 0.82 PTGDR2 (0.45) CASP3PTGDR2ALDH1A1KDM4EGLA
SCHEMBL2174257 0.81 CASP3 (0.37) CASP3PTGDR2GAAALDH1A1KDM4E
SCHEMBL27828528 0.81 PTGS2 (0.35) PTGDR2HTR2CALDH1A1KDM4EMAPT
SCHEMBL11470610 0.77 ALDH1A1 (0.42) CASP3GAAALDH1A1KDM4EGLA
SCHEMBL2173913 0.74 PTGDR2 (0.42) PTGDR2
SCHEMBL2335826 0.72 PTGDR2 (0.46) CASP3PTGDR2
SCHEMBL2171906 0.72 HSP90AB1 (0.50) CASP3GAAALDH1A1L3MBTL1LMNA

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 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
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
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 CASP3 4683/4885PTGDR2 49/4885HTR2C 1155/4885

“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.