SCHEMBL10122116

SCHEMBL10122116

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.54
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.37
EPHX2 P34913 1/20 0.36
EPHX1 P07099 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MLNR O43193 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL1709555 0.93 GHSR (0.54) GHSRKDM4ENPSR1MEN1KMT2A
SCHEMBL1709702 0.89 GHSR (0.59) GHSRKDM4EMEN1KMT2ALMNA
SCHEMBL10122118 0.88 GHSR (0.56) GHSRNPSR1CYP3A4CYP2C19TSHR
SCHEMBL1709713 0.88 GHSR (0.54) GHSRKDM4ENPSR1KMT2ACYP3A4
SCHEMBL10122248 0.87 GHSR (0.56) GHSRMEN1KMT2ACYP3A4TSHR
SCHEMBL1709717 0.87 GHSR (0.57) GHSRKMT2ATSHREPHX2EPHX1
SCHEMBL1709696 0.86 GHSR (0.56) GHSRMEN1KMT2ACYP3A4TSHR
SCHEMBL1709597 0.86 GHSR (0.53) GHSRALDH1A1LMNAPPARGPPARA
SCHEMBL1709719 0.86 GHSR (0.61) GHSRKDM4ENPSR1CYP3A4CYP2C19
SCHEMBL10122123 0.85 GHSR (0.56) GHSRKDM4EMEN1KMT2ACYP3A4

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 3334/4885NPSR1 36/4885

“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.