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SCHEMBL1709696

SCHEMBL1709696

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MMP1 P03956 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP7 P09237 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL1709731 0.93 GHSR (0.54) GHSRL3MBTL1GAAALDH1A1HTT
SCHEMBL1709718 0.91 GHSR (0.55) GHSRL3MBTL1MMP1MMP2MMP3
SCHEMBL10122124 0.89 GHSR (0.54) GHSRL3MBTL1GAAALDH1A1CYP3A4
SCHEMBL1709713 0.88 GHSR (0.54) GHSRL3MBTL1GAAALDH1A1HTT
SCHEMBL1709555 0.86 GHSR (0.54) GHSRMMP2MMP3ALDH1A1HTT
SCHEMBL10122116 0.86 GHSR (0.54) GHSRL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL10122118 0.86 GHSR (0.56) GHSRGAAALDH1A1HTTCYP3A4
SCHEMBL1709620 0.86 GHSR (0.56) GHSRL3MBTL1GAAAGTR2F2
SCHEMBL10121891 0.86 GHSR (0.56) GHSRL3MBTL1GAAALDH1A1CYP3A4
SCHEMBL1709615 0.86 GHSR (0.61) GHSRGAAALDH1A1CYP3A4CHRM2

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 1/4885L3MBTL1 4633/4885MMP1 3917/4885

“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.