SCHEMBL4292848

SCHEMBL4292848

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3ccncc3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
POLB P06746 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
SCHEMBL3441730 1.00 BDKRB1 (0.40) BDKRB1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3441702 0.92 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL3441720 0.92 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL4300734 0.92 BDKRB1 (0.40) BDKRB1
Hydrochloric Acid SCHEMBL3441652 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL3441734 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1
Hydrochloric Acid SCHEMBL3441654 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL3441794 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL4290344 0.91 BDKRB1 (0.40) BDKRB1CYP3A4
SCHEMBL3441844 0.90 BDKRB1 (0.39) BDKRB1ALDH1A1

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 1/4885ALDH1A1 1956/4885CYP3A4 1382/4885

“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.