SCHEMBL1368657

SCHEMBL1368657

COC(=O)c1ccc(Br)cc1S(=O)(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA5A P35218 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SLC6A3 Q01959 1/20 0.40
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL1371444 0.83 KDM4E (0.43) KDM4EMAPTCA1CA2CA9
SCHEMBL1369472 0.83 NR4A2 (0.48) KDM4EMAPTNR4A2CA1CA2
SCHEMBL17078010 0.81 NR4A2 (0.47) KDM4EMAPTNR4A2CA1CA2
SCHEMBL21962894 0.81 CA2 (0.61) KDM4EMAPTNR4A2CA1CA2
SCHEMBL29295507 0.81 NR4A2 (0.43) KDM4ENR4A2CA1CA2CA9
SCHEMBL17494875 0.80 SMN1; SMN2 (0.46) KDM4EMAPTNR4A2CA1CA2
SCHEMBL22010261 0.79 CA2 (0.50) KDM4EMAPTNR4A2CA1CA2
SCHEMBL1368200 0.79 ALDH1A1 (0.50) LMNAL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL14443240 0.78 CA1 (0.65) KDM4EMAPTLMNACA1CA2
SCHEMBL1369724 0.75 PTGDR2 (0.48) LMNAL3MBTL1NPSR1ALDH1A1SMN1; SMN2

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 KDM4E 1974/4885MAPT 1772/4885LMNA 4243/4885

“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.