SCHEMBL2173256

SCHEMBL2173256

CCS(=O)(=O)c1ccc(Oc2c(C)c(C=O)cc3ccc(F)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
SLC6A4 P31645 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP3 P08254 1/20 0.34
BRD4 O60885 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
SCHEMBL2174540 0.84 IDO1 (0.41) PTGDR2AKR1B1PTGS2PTGS1ESR1
SCHEMBL2174538 0.84 IDO1 (0.41) PTGDR2AKR1B1PTGS2PTGS1ESR1
SCHEMBL13356130 0.80 ALDH1A1 (0.35) PTGDR2PTGS2PTGS1CYP1A2CYP2C19
SCHEMBL2171442 0.79 PTGDR2 (0.59) PTGDR2
SCHEMBL2173397 0.78 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL2176235 0.78 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL2174823 0.76 PTGDR2 (0.43) PTGDR2AKR1B1
SCHEMBL2172859 0.72 PTGDR2 (0.57) PTGDR2
SCHEMBL3373499 0.71 PTGS2 (0.62) PTGDR2AKR1B1PTGS2PTGS1MAPT
SCHEMBL2174122 0.71 PTGDR2 (0.55) PTGDR2

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 10 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
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 PTGDR2 49/4885AKR1B1 253/4885PTGS2 667/4885

“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.