SCHEMBL700080

SCHEMBL700080

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCOCC(=O)N2CCC(CCCN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.41
HTR7 P34969 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL10246334 0.93 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL703139 0.93 BDKRB1 (0.39) BDKRB1ALDH1A1
Hydrochloric Acid SCHEMBL704835 0.93 BDKRB1 (0.38) BDKRB1ALDH1A1
SCHEMBL700048 0.91 ALDH1A1 (0.37) HTR7TMEM97SIGMAR1ALDH1A1DRD2
SCHEMBL703859 0.89 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL10246317 0.89 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL4290019 0.89 BDKRB1 (0.41) BDKRB1HTR7TMEM97SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL700086 0.89 BDKRB1 (0.39) BDKRB1ALDH1A1
Hydrochloric Acid SCHEMBL707957 0.89 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL3442218 0.88 BDKRB1 (0.40) BDKRB1ALDH1A1DRD2DRD3

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 BDKRB1 11/4885HTR7 522/4885TMEM97 222/4885

“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.