SCHEMBL1369709

SCHEMBL1369709

CC(C)(C)N1C(=O)c2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
CA9 Q16790 8/20 0.37
CA12 O43570 6/20 0.37
CA2 P00918 5/20 0.37
S100A4 P26447 1/20 0.36
CA1 P00915 3/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SRD5A1 P18405 1/20 0.33
POLB P06746 1/20 0.33
APP P05067 1/20 0.33
PTPRC P08575 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16126846 0.87 CA9 (0.37) PTGDR2CA9CA12CA2S100A4
SCHEMBL7335719 0.81 PTGDR2 (0.44) PTGDR2CA9CA12CA2CA1
SCHEMBL17097221 0.78 CA9 (0.58) CA9CA12CA2S100A4CA1
SCHEMBL8550940 0.76 CA9 (0.59) CA9CA12CA2CA1KMT2A
SCHEMBL7924879 0.76 PTGDR2 (0.46) PTGDR2CA9CA12CA1NPC1
SCHEMBL2010276 0.74 CA12 (0.61) CA9CA12CA2CA1NPC1
SCHEMBL17191865 0.73 PTGDR2 (0.38) PTGDR2CA9CA12CA2CA1
SCHEMBL7337341 0.73 PTGDR2 (0.44) PTGDR2CA9CA12CA2CA1
SCHEMBL8550846 0.72 CA9 (0.38) PTGDR2CA9CA12CA2CA1
SCHEMBL7916345 0.71 MEN1 (0.53) PTGDR2NPC1RAB9APOLBKMT2A

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 51/4885CA9 2939/4885CA12 3288/4885

“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.