SCHEMBL1370609

SCHEMBL1370609

CCC(C)NS(=O)(=O)c1ccc(C)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL19748301 0.87 L3MBTL1 (0.44) KMT2ACA2CA12CA9ALDH1A1
SCHEMBL19748304 0.87 L3MBTL1 (0.44) KMT2ACA2CA12CA9ALDH1A1
SCHEMBL1368170 0.84 ALDH1A1 (0.49) KMT2AALDH1A1LMNANPSR1POLB
SCHEMBL7874526 0.82 CA2 (0.48) KMT2ACA2CA12CA9ALDH1A1
SCHEMBL13507008 0.79 MMP2 (0.55) CA2CA12CA9ALDH1A1TSHR
SCHEMBL12169286 0.77 CA2 (0.75) CA2CA12CA9ALDH1A1TSHR
SCHEMBL1370060 0.75 LMNA (0.65) CA2CA12CA9ALDH1A1L3MBTL1
SCHEMBL1369061 0.75 CA12 (0.54) KMT2ACA2CA12CA9ALDH1A1
SCHEMBL29978818 0.75 PKM (0.51) KMT2ACA2CA12CA9ALDH1A1
SCHEMBL3692115 0.74 L3MBTL1 (0.58) KMT2AALDH1A1L3MBTL1SMN1; SMN2LMNA

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 5 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-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 KMT2A 698/4885CA2 804/4885CA12 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.