SCHEMBL12147331

SCHEMBL12147331

CCCCN(C)C(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)OC(C)(C)C)cc1S(=O)(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.44
MAPT P10636 1/20 0.37
ACLY P53396 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL12147463 0.90 PTGDR2 (0.55) PTGDR2PPARGPPARDPPARA
SCHEMBL12147397 0.89 PTGDR2 (0.55) PTGDR2MAPTACLYALDH1A1TDP1
SCHEMBL12147641 0.88 PTGDR2 (0.51) PTGDR2MAPTACLYALDH1A1TDP1
SCHEMBL12147651 0.88 PTGDR2 (0.56) PTGDR2ACLYALDH1A1TDP1ESR1
SCHEMBL12146241 0.84 PTGDR2 (0.66) PTGDR2
SCHEMBL12147278 0.78 PTGDR2 (0.68) PTGDR2
SCHEMBL12147649 0.77 PTGDR2 (0.59) PTGDR2ACLYALDH1A1POLB
SCHEMBL12147090 0.77 PTGDR2 (0.63) PTGDR2PPARGPPARDPPARA
SCHEMBL12147312 0.77 PTGDR2 (0.69) PTGDR2TDP1
SCHEMBL1368835 0.74 PTGDR2 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885MAPT 1772/4885ACLY 2418/4885

“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.