SCHEMBL1709718

SCHEMBL1709718

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C(=O)OCc2ccccc2)C2CCCCC2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.55
CCR5 P51681 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP13 P45452 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1709696 0.91 GHSR (0.56) GHSRL3MBTL1MMP1MMP2MMP3
SCHEMBL1709731 0.88 GHSR (0.54) GHSRCCR5L3MBTL1CHRM2HTR1A
SCHEMBL1709661 0.88 GHSR (0.60) GHSRLMNATSHRSCN1ASCN2A
SCHEMBL10121960 0.88 GHSR (0.60) GHSRPTGDR2CHRM2HTR1AADRA2A
SCHEMBL10122118 0.86 GHSR (0.56) GHSRCHRM2HTR1AADRA2ACHRM1
SCHEMBL10121891 0.86 GHSR (0.56) GHSRL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL10122124 0.86 GHSR (0.54) GHSRL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL1709713 0.85 GHSR (0.54) GHSRL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL10122248 0.84 GHSR (0.56) GHSRCHRM2HTR1AADRA2ACHRM1
SCHEMBL10121648 0.84 GHSR (0.43) GHSRCCR5L3MBTL1HDAC1HDAC6

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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. 2012-04-12 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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF GHSR, GHRHR, STS GHSR 1/4885CCR5 4058/4885L3MBTL1 4633/4885

“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.