SCHEMBL12147641

SCHEMBL12147641

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.51
ACLY P53396 2/20 0.37
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL12147651 0.95 PTGDR2 (0.56) PTGDR2ACLYTDP1ESR1POLB
SCHEMBL12147090 0.90 PTGDR2 (0.63) PTGDR2
SCHEMBL12147397 0.88 PTGDR2 (0.55) PTGDR2ACLYMAPTTDP1ESR1
SCHEMBL12147331 0.88 PTGDR2 (0.44) PTGDR2ACLYMAPTTDP1ESR1
SCHEMBL12147312 0.84 PTGDR2 (0.69) PTGDR2TDP1
SCHEMBL12146253 0.84 PTGDR2 (0.74) PTGDR2
SCHEMBL12146249 0.79 PTGDR2 (0.81) PTGDR2
SCHEMBL12147649 0.78 PTGDR2 (0.59) PTGDR2ACLYPOLBALDH1A1
SCHEMBL12147463 0.77 PTGDR2 (0.55) PTGDR2
SCHEMBL12147278 0.77 PTGDR2 (0.68) 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 51/4885ACLY 2418/4885MAPT 1772/4885

“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.