SCHEMBL1994017

SCHEMBL1994017

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2c(C)cccc2Cl)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.50
GAA P10253 1/20 0.33
HTR1A P08908 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CCR4 P51679 1/20 0.32
S1PR3 Q99500 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL1991192 0.89 GHSR (0.52) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1991318 0.86 GHSR (0.53) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1993938 0.84 GHSR (0.51) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1994990 0.84 GHSR (0.50) GHSRGAAHTR1AHRH3CCR4
SCHEMBL2004928 0.83 GHSR (0.51) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1990715 0.82 GHSR (0.58) GHSRHTR1AHRH3SLC6A3HDAC6
SCHEMBL1986905 0.82 GHSR (0.58) GHSRHTR1AHRH3SLC6A3HDAC6
SCHEMBL1989861 0.82 GHSR (0.50) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1992742 0.82 GHSR (0.49) GHSRGAAHTR1AHRH3CCR4
SCHEMBL1984223 0.82 GHSR (0.52) GHSRHTR1AHRH3MAPTSMN1; SMN2

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 1/4885GAA 92/4885HTR1A 1134/4885

“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.