SCHEMBL4290344

SCHEMBL4290344

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3ccc(C(F)(F)F)cc3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.40
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 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
SCHEMBL3441698 0.93 BDKRB1 (0.38) BDKRB1
SCHEMBL4300734 0.92 BDKRB1 (0.40) BDKRB1
SCHEMBL4292848 0.91 BDKRB1 (0.40) BDKRB1CYP3A4
SCHEMBL3441730 0.91 BDKRB1 (0.40) BDKRB1CYP3A4
SCHEMBL4302599 0.89 BDKRB1 (0.35) BDKRB1
SCHEMBL4295235 0.88 CCR1 (0.33) BDKRB1CASP3CASP7
SCHEMBL3441641 0.88 BDKRB1 (0.39) BDKRB1KMT2A
SCHEMBL3441640 0.88 BDKRB1 (0.39) BDKRB1KMT2A
SCHEMBL3441731 0.87 BDKRB1 (0.39) BDKRB1
SCHEMBL3441702 0.86 BDKRB1 (0.40) BDKRB1CASP3CASP7

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 BDKRB1 1/4885MEN1 2417/4885USP2 4009/4885

“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.