SCHEMBL3828670

SCHEMBL3828670

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(O)(c3ccccn3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL5129061 0.94 KMT2A (0.38) ALDH1A1HSD17B10HPGDCYP2D6MEN1
SCHEMBL5127947 0.88 BDKRB1 (0.42) BDKRB1ALDH1A1
SCHEMBL5132321 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNA
SCHEMBL5132297 0.87 BDKRB1 (0.41) BDKRB1ALDH1A1CYP2D6TSHR
SCHEMBL2569113 0.86 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDCYP2D6MEN1
SCHEMBL5123809 0.86 BDKRB1 (0.43) BDKRB1ALDH1A1
SCHEMBL14411693 0.86 BDKRB1 (0.43) BDKRB1ALDH1A1
SCHEMBL3809047 0.86 ALDH1A1 (0.47) BDKRB1ALDH1A1HPGDCYP2D6MEN1
Hydrochloric Acid SCHEMBL5128006 0.85 ALDH1A1 (0.46) BDKRB1ALDH1A1HPGDCYP2D6MEN1
SCHEMBL3808551 0.84 BDKRB1 (0.41) BDKRB1

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-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885ALDH1A1 2737/4885HSD17B10 4591/4885

“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.