SCHEMBL1709663

SCHEMBL1709663

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CNC(=O)N2CCCCC2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.58
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLLT1 Q03111 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL1709675 0.99 GHSR (0.59) GHSRKDM4EGAAEPHX2KMT2A
SCHEMBL1709552 0.98 GHSR (0.59) GHSRKDM4EGAAEPHX2KMT2A
SCHEMBL10122191 0.87 GHSR (0.56) GHSRGAAKMT2ACYP3A4ALDH1A1
SCHEMBL10122103 0.87 GHSR (0.65) GHSRKDM4EGAAKMT2ACYP1A2
SCHEMBL10122123 0.87 GHSR (0.56) GHSRKDM4EGAAKMT2ACYP1A2
SCHEMBL1709651 0.87 GHSR (0.56) GHSRKDM4EGAAKMT2ACYP1A2
SCHEMBL1709571 0.87 GHSR (0.43) GHSRKDM4EGAAEPHX2KMT2A
SCHEMBL10121676 0.86 GHSR (0.64) GHSRGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10121682 0.86 GHSR (0.69) GHSRKDM4EGAAKMT2ACYP1A2
SCHEMBL10121950 0.86 GHSR (0.64) GHSRKDM4EGAAEPHX2SMN1; SMN2

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 1/4885KDM4E 3334/4885GAA 55/4885

“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.