SCHEMBL1369724

SCHEMBL1369724

CCN(CC)C(=O)c1ccc(Br)cc1S(=O)(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
USP2 O75604 1/20 0.46
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
KEAP1 Q14145 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
GFER P55789 1/20 0.36

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
SCHEMBL1369782 0.92 PTGDR2 (0.43) PTGDR2USP2HSP90AA1HSP90AB1L3MBTL1
SCHEMBL1368200 0.84 ALDH1A1 (0.50) PTGDR2L3MBTL1NPSR1ALDH1A1LMNA
SCHEMBL2733602 0.84 USP2 (0.49) USP2HSP90AA1HSP90AB1L3MBTL1NPSR1
SCHEMBL1368706 0.81 TSHR (0.42) PTGDR2HSP90AA1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL1371444 0.79 KDM4E (0.43) L3MBTL1ALDH1A1
SCHEMBL1368657 0.75 KDM4E (0.45) L3MBTL1NPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL30532360 0.75 USP2 (0.51) USP2HSP90AA1HSP90AB1L3MBTL1NPSR1
SCHEMBL2170651 0.74 HPGD (0.57) USP2HSP90AA1HSP90AB1L3MBTL1NPSR1
SCHEMBL471624 0.74 USP2 (0.54) USP2HSP90AA1HSP90AB1L3MBTL1NPSR1
SCHEMBL15820026 0.73 USP2 (0.47) USP2HSP90AA1HSP90AB1L3MBTL1NPSR1

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 7 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
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

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 51/4885USP2 783/4885HSP90AA1 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.