SCHEMBL5132297

SCHEMBL5132297

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.41
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5127947 0.92 BDKRB1 (0.42) BDKRB1ALDH1A1
SCHEMBL3809047 0.91 ALDH1A1 (0.47) BDKRB1ALDH1A1CASP3CASP7CYP2D6
SCHEMBL5128645 0.91 MEN1 (0.43) BDKRB1ALDH1A1TSHR
SCHEMBL5132121 0.91 BDKRB1 (0.41) BDKRB1
Hydrochloric Acid SCHEMBL5128006 0.90 ALDH1A1 (0.46) BDKRB1ALDH1A1CASP3CASP7CYP3A4
SCHEMBL14411693 0.90 BDKRB1 (0.43) BDKRB1ALDH1A1
SCHEMBL5123809 0.90 BDKRB1 (0.43) BDKRB1ALDH1A1
SCHEMBL3818678 0.88 ALDH1A1 (0.47) BDKRB1ALDH1A1CASP3CASP7CYP2D6
SCHEMBL14411784 0.88 MEN1 (0.44) BDKRB1ALDH1A1TSHR
SCHEMBL5131948 0.88 BDKRB1 (0.42) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885ALDH1A1 2737/4885CASP3 2844/4885

“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.