SCHEMBL4344072

SCHEMBL4344072

CCn1ccnc1CN(CCOCC(=O)N1CCc2nc(-c3ccccc3)oc2C1)S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.42
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4339261 0.85 BDKRB1 (0.55) BDKRB1
SCHEMBL4348189 0.82 BDKRB1 (0.41) BDKRB1ALDH1A1MAPTTSHRMAPK1
SCHEMBL4349660 0.78 BDKRB1 (0.43) BDKRB1
SCHEMBL4349828 0.76 BDKRB1 (0.39) BDKRB1
SCHEMBL2933703 0.74 BDKRB1 (0.48) BDKRB1ALDH1A1
SCHEMBL3473474 0.74 BDKRB1 (0.42) BDKRB1
SCHEMBL12340033 0.73 BDKRB1 (0.41) BDKRB1
SCHEMBL12340031 0.72 BDKRB1 (0.38) BDKRB1ALDH1A1
SCHEMBL4343672 0.72 LMNA (0.39) BDKRB1ALDH1A1MAPTTSHRMAPK1
SCHEMBL12340030 0.68 LMNA (0.38) BDKRB1ALDH1A1MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 BDKRB1 2/4885ALDH1A1 2173/4885MAPT 3633/4885

“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.