SCHEMBL1989604

SCHEMBL1989604

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2cncc(Br)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.51
HTR1A P08908 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CASP3 P42574 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
S1PR1 P21453 1/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 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
SCHEMBL1984223 0.90 GHSR (0.52) GHSRHTR1AHRH3NPC1RAB9A
SCHEMBL1986905 0.89 GHSR (0.58) GHSRHTR1AHRH3CYP1A2CYP2D6
SCHEMBL1990715 0.84 GHSR (0.58) GHSRHTR1AHRH3NPC1S1PR1
SCHEMBL1992742 0.84 GHSR (0.49) GHSRHTR1AHRH3S1PR1TSHR
SCHEMBL1989714 0.83 GHSR (0.72) GHSRHTR1AHRH3POLBNPC1
SCHEMBL1994990 0.82 GHSR (0.50) GHSRHTR1AHRH3POLBS1PR1
SCHEMBL1991192 0.81 GHSR (0.52) GHSRHTR1AHRH3POLBNPC1
SCHEMBL2007913 0.81 GHSR (0.50) GHSRHTR1AL3MBTL1
SCHEMBL1989518 0.81 GHSR (0.48) GHSRHTR1AMAPTL3MBTL1
SCHEMBL1991024 0.80 GHSR (0.49) GHSRHTR1AL3MBTL1

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 1/4885HTR1A 1134/4885HRH3 1448/4885

“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.