SCHEMBL12147359

SCHEMBL12147359

Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1-c1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.74
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL12147518 0.89 PTGDR2 (0.60) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1371706 0.85 PTGDR2 (1.00) PTGDR2
SCHEMBL12147452 0.85 PTGDR2 (0.72) PTGDR2LMNAMAPT
SCHEMBL12147432 0.84 PTGDR2 (0.67) PTGDR2
SCHEMBL12147376 0.81 PTGDR2 (0.72) PTGDR2LMNA
SCHEMBL12147152 0.80 PTGDR2 (0.73) PTGDR2
SCHEMBL12147176 0.79 PTGDR2 (0.55) PTGDR2
SCHEMBL12147175 0.78 PTGDR2 (0.77) PTGDR2
SCHEMBL12147163 0.78 PTGDR2 (0.69) PTGDR2
SCHEMBL12147073 0.77 PTGDR2 (0.65) 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 51/4885PSEN1 1091/4885PSEN2 927/4885

“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.