SCHEMBL3405299

SCHEMBL3405299

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(CNC(C)=O)(N3CCN(c4ccncc4)CC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
BDKRB1 P46663 10/20 0.36
F10 P00742 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3406194 0.89 BDKRB1 (0.43) BDKRB1NPC1
SCHEMBL2568340 0.88 CYP2D6 (0.43) CYP3A4CYP2D6CYP2C9TSHRBDKRB1
SCHEMBL3408994 0.87 TP53 (0.45) BDKRB1NPC1
SCHEMBL2563556 0.86 CYP2D6 (0.44) CYP3A4CYP2D6CYP2C9TSHRBDKRB1
SCHEMBL3408822 0.85 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9TSHRBDKRB1
SCHEMBL3402965 0.82 TP53 (0.41) BDKRB1NPC1
SCHEMBL3404178 0.81 BDKRB1 (0.46) CYP3A4CYP2D6CYP2C9TSHRBDKRB1
SCHEMBL3405241 0.81 TP53 (0.46) BDKRB1NPC1
SCHEMBL2565964 0.81 MAPK1 (0.46) BDKRB1
SCHEMBL3403262 0.81 TP53 (0.39) BDKRB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US claimed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP claimed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US claimed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO claimed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 CYP3A4 1277/4885CYP2D6 677/4885CYP2C9 640/4885

“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.