SCHEMBL1369045

SCHEMBL1369045

CC(C)S(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OC(C(=O)O)C(C)(C)C)ccc1C(=O)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.75
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL1370745 0.86 PTGDR2 (1.00) PTGDR2
SCHEMBL1368670 0.84 PTGDR2 (0.52) PTGDR2KDM4EGRM5SMN1; SMN2
SCHEMBL12146258 0.83 PTGDR2 (0.83) PTGDR2
SCHEMBL1368467 0.83 PTGDR2 (0.72) PTGDR2
SCHEMBL1370192 0.82 PTGDR2 (0.50) PTGDR2GRM5SMN1; SMN2
SCHEMBL1371293 0.81 PTGDR2 (0.75) PTGDR2
SCHEMBL1367989 0.78 PTGDR2 (0.68) PTGDR2
SCHEMBL1369540 0.78 PTGDR2 (0.60) PTGDR2
SCHEMBL1368054 0.73 PTGDR2 (0.70) PTGDR2
SCHEMBL1369403 0.73 PTGDR2 (0.64) 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 2 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

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 51/4885GAA 722/4885KDM4E 1974/4885

“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.