SCHEMBL10122237

SCHEMBL10122237

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)OCc2ccccc2)n(CC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CASP1 P29466 2/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
CCR5 P51681 3/20 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
SCHEMBL10121651 0.94 GHSR (0.44) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL10122096 0.90 GHSR (0.47) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL1709703 0.88 GHSR (0.49) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL10122085 0.84 GHSR (0.42) GHSRHDAC1HDAC6CCR5
SCHEMBL1709695 0.84 GHSR (0.48) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL10121722 0.83 GHSR (0.46) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL10121970 0.83 GHSR (0.46) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL1709707 0.82 GHSR (0.47) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL10121974 0.82 GHSR (0.46) GHSRSCN1ASCN2ASCN3AHDAC1
SCHEMBL10122117 0.81 GHSR (0.47) GHSRSCN1ASCN2ASCN3AHDAC1

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 1/4885SCN1A 306/4885SCN2A 255/4885

“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.