SCHEMBL1371402

SCHEMBL1371402

CC1(C)C(O)c2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
VEGFA P15692 2/20 0.38
EPAS1 Q99814 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC10A2 Q12908 2/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL16126803 0.87 CA1 (0.42) PTGDR2VEGFAEPAS1CA1CA2
SCHEMBL1369918 0.78 PTGDR2 (0.43) PTGDR2VEGFAEPAS1CA1CA2
SCHEMBL12145525 0.78 PTGDR2 (0.39) PTGDR2VEGFAEPAS1CA1CA2
SCHEMBL8190136 0.75 PTGDR2 (0.36) PTGDR2VEGFAEPAS1ALDH1A1SLC10A2
SCHEMBL25042870 0.70 CA1 (0.42) VEGFAEPAS1CA1CA2ALDH1A1
SCHEMBL25042684 0.70 CA1 (0.42) VEGFAEPAS1CA1CA2ALDH1A1
SCHEMBL30275162 0.70 CA1 (0.42) VEGFAEPAS1CA1CA2ALDH1A1
SCHEMBL16100653 0.67 CA1 (0.39) PTGDR2VEGFAEPAS1CA1CA2
SCHEMBL2589648 0.66 VEGFA (0.39) VEGFAEPAS1CA1CA2CA12
SCHEMBL1370296 0.66 PTGDR2 (0.39) PTGDR2VEGFACA1CA2ALDH1A1

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 9 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-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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
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 51/4885VEGFA 3881/4885EPAS1 1696/4885

“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.