SCHEMBL700048

SCHEMBL700048

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCC(=O)N2CCC(CCCN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MAPT P10636 1/20 0.36
HTR7 P34969 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NAMPT P43490 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL699942 0.92 HTR7 (0.36) HTR7TMEM97SIGMAR1TDP1
SCHEMBL700080 0.91 BDKRB1 (0.41) ALDH1A1HTR7TMEM97SIGMAR1DRD2
SCHEMBL703139 0.90 BDKRB1 (0.39) ALDH1A1MAPTLMNANAMPTCASP3
SCHEMBL10246334 0.90 BDKRB1 (0.39) ALDH1A1MAPTLMNANAMPTCASP3
Hydrochloric Acid SCHEMBL704835 0.89 BDKRB1 (0.38) ALDH1A1MAPTLMNANAMPTCASP3
SCHEMBL3441912 0.89 DRD2 (0.37) ALDH1A1ADAMTS4ADAMTS5MAPTHTR7
SCHEMBL10246317 0.86 BDKRB1 (0.39) ALDH1A1MAPTNAMPTCASP3CASP7
SCHEMBL703859 0.86 BDKRB1 (0.39) ALDH1A1MAPTNAMPTCASP3CASP7
Hydrochloric Acid SCHEMBL707957 0.85 BDKRB1 (0.39) ALDH1A1MAPTNAMPTCASP3CASP7
Hydrochloric Acid SCHEMBL700086 0.85 BDKRB1 (0.39) ALDH1A1MAPTNAMPTCASP3CASP7

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 ALDH1A1 958/4885ADAMTS4 4276/4885ADAMTS5 4107/4885

“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.