SCHEMBL2171683

SCHEMBL2171683

COC(=O)Cc1cc2ccc(F)cc2c(OC(C)=O)c1I

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.35
PTGDR2 Q9Y5Y4 10/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRNP P04156 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL2171594 0.85 ALDH1A1 (0.36) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL2171825 0.83 CASP3 (0.35) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL2171339 0.83 CASP3 (0.35) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL2174257 0.83 CASP3 (0.37) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL14847587 0.79 ALDH1A1 (0.33) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL2171515 0.79 PTGDR2 (0.33) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL710170 0.75 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1B
SCHEMBL2171085 0.75 CASP3 (0.39) CASP3PTGDR2ALDH1A1LMNAMAPT
SCHEMBL2169636 0.74 PTGDR2 (0.54) PTGDR2
SCHEMBL709958 0.74 PTGDR2 (0.45) CASP3PTGDR2ALDH1A1LMNAMAPT

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
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

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 49/4885ALDH1A1 746/4885

“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.