SCHEMBL4297410

SCHEMBL4297410

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCC(=O)N2CCC(OCCN3CCCC3)(c3cccc(F)c3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 2/20 0.36
NPC1 O15118 1/20 0.35
BDKRB1 P46663 3/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4292746 0.92 NPC1 (0.40) HTR7TMEM97SIGMAR1HTR1ANPC1
SCHEMBL4292346 0.91 BDKRB1 (0.34) HTR7TMEM97SIGMAR1NPC1BDKRB1
SCHEMBL4300839 0.91 BDKRB1 (0.41) HTR7TMEM97SIGMAR1BDKRB1
SCHEMBL4299091 0.90 ALDH1A1 (0.35) HTR7HTR1A
SCHEMBL3441641 0.89 BDKRB1 (0.39) HTR7BDKRB1
SCHEMBL3441640 0.89 BDKRB1 (0.39) HTR7BDKRB1
SCHEMBL3441912 0.89 DRD2 (0.37) HTR7TMEM97SIGMAR1BDKRB1TDP1
SCHEMBL3443457 0.88 HTR7 (0.35) HTR7TMEM97SIGMAR1NPC1BDKRB1
SCHEMBL4302599 0.88 BDKRB1 (0.35) HTR7TMEM97SIGMAR1NPC1BDKRB1
SCHEMBL3441475 0.86 HTR7 (0.40) HTR7TMEM97SIGMAR1HTR1A

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US claimed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HTR7 939/4885TMEM97 764/4885SIGMAR1 160/4885

“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.