SCHEMBL1709555

SCHEMBL1709555

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)NC2CCCCC2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.54
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
MMP2 P08253 2/20 0.34
CCR5 P51681 1/20 0.34
MMP3 P08254 1/20 0.34
EPHX1 P07099 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 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
SCHEMBL10122116 0.93 GHSR (0.54) GHSRALDH1A1HTTKDM4EMEN1
SCHEMBL1709597 0.90 GHSR (0.53) GHSRALDH1A1MMP3LMNA
SCHEMBL1709563 0.89 GHSR (0.60) GHSRALDH1A1CYP2C19LMNA
SCHEMBL10122124 0.88 GHSR (0.54) GHSRALDH1A1KMT2ACYP3A4TSHR
SCHEMBL10121891 0.88 GHSR (0.56) GHSRALDH1A1CYP3A4TSHRLMNA
SCHEMBL10122280 0.88 GHSR (0.54) GHSRALDH1A1CYP3A4TSHRLMNA
SCHEMBL1709669 0.88 GHSR (0.54) GHSRALDH1A1CYP3A4TSHRMMP2
SCHEMBL10122248 0.87 GHSR (0.56) GHSRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL1709717 0.87 GHSR (0.57) GHSRKMT2ATSHREPHX2CCR5
SCHEMBL1709696 0.86 GHSR (0.56) GHSRALDH1A1HTTMEN1KMT2A

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 1/4885ALDH1A1 3182/4885HTT 718/4885

“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.