SCHEMBL1709570

SCHEMBL1709570

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.43
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NR4A1 P22736 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 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
SCHEMBL1709697 0.87 GHSR (0.46) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1709661 0.86 GHSR (0.60) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1709638 0.84 GHSR (0.40) GHSRALDH1A1TSHRGAABCHE
SCHEMBL1709693 0.84 GHSR (0.35) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1709665 0.79 GHSR (0.58) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL10121960 0.78 GHSR (0.60) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1709571 0.77 GHSR (0.43) GHSRALDH1A1GAAKDM4ECCR4
SCHEMBL10122274 0.77 GHSR (0.60) GHSRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1709558 0.75 GHSR (0.62) GHSRSCN1ASCN2ASCN3AHDAC3
SCHEMBL1709625 0.74 GHSR (0.61) GHSRSCN1ASCN2ASCN3AALDH1A1

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.