SCHEMBL12147397

SCHEMBL12147397

CC(C)S(=O)(=O)c1cc(-c2cc(Cl)ccc2OCC(=O)OC(C)(C)C)ccc1C(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.55
ACLY P53396 2/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 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
SCHEMBL12147651 0.91 PTGDR2 (0.56) PTGDR2ACLYESR1POLBESR2
SCHEMBL12147331 0.89 PTGDR2 (0.44) PTGDR2ACLYESR1POLBESR2
SCHEMBL12147278 0.89 PTGDR2 (0.68) PTGDR2
SCHEMBL12147641 0.88 PTGDR2 (0.51) PTGDR2ACLYESR1POLBESR2
SCHEMBL12146247 0.82 PTGDR2 (0.81) PTGDR2
SCHEMBL12147649 0.82 PTGDR2 (0.59) PTGDR2ACLYPOLBALDH1A1GAA
SCHEMBL12147974 0.80 PTGDR2 (0.48) PTGDR2ACLYESR1POLBESR2
SCHEMBL12147312 0.80 PTGDR2 (0.69) PTGDR2TDP1
SCHEMBL12147463 0.78 PTGDR2 (0.55) PTGDR2
SCHEMBL12147621 0.78 PTGDR2 (0.48) PTGDR2ACLYESR1POLBESR2

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 51/4885ACLY 2418/4885ESR1 914/4885

“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.