SCHEMBL1369849

SCHEMBL1369849

COc1cccc(-c2ccc(C#Cc3cc(Cl)ccc3OC(C(=O)O)C(C)(C)C)cc2S(C)(=O)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.72
CYP2C9 P11712 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38

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
SCHEMBL1370558 0.92 PTGDR2 (0.70) PTGDR2CYP2C9
SCHEMBL1371698 0.91 PTGDR2 (0.71) PTGDR2
SCHEMBL1370491 0.91 PTGDR2 (0.69) PTGDR2CYP2C9
SCHEMBL1369903 0.88 PTGDR2 (0.69) PTGDR2
SCHEMBL3712213 0.84 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL1370252 0.84 PTGDR2 (0.70) PTGDR2
SCHEMBL1369415 0.83 PTGDR2 (0.73) PTGDR2
SCHEMBL12146136 0.81 PTGDR2 (0.82) PTGDR2CYP2C9
SCHEMBL1369403 0.78 PTGDR2 (0.64) PTGDR2
SCHEMBL1370082 0.76 PTGDR2 (1.00) PTGDR2CYP2C9

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 51/4885CYP2C9 2830/4885HSP90AA1 1429/4885

“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.