SCHEMBL1991024

SCHEMBL1991024

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(Cc2ccc(Br)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.49
SRC P12931 6/20 0.37
ZAP70 P43403 4/20 0.37
CCR4 P51679 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.32
OPRM1 P35372 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL2007913 0.94 GHSR (0.50) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1989518 0.92 GHSR (0.48) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1991756 0.90 GHSR (0.62) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1990394 0.90 GHSR (0.49) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1990054 0.89 GHSR (0.54) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1989861 0.87 GHSR (0.50) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1986905 0.87 GHSR (0.58) GHSRL3MBTL1HTR1ASLC6A3
SCHEMBL1993678 0.87 GHSR (0.48) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1991288 0.86 GHSR (0.49) GHSRSRCZAP70CCR4L3MBTL1
SCHEMBL1996177 0.86 GHSR (0.46) GHSRSRCZAP70GAAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF SAUNDERS JEFFREY O 2011-06-23 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-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF GHSR, GHRHR, SSTR2 GHSR 1/4885SRC 2407/4885ZAP70 4029/4885

“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.