SCHEMBL10122123

SCHEMBL10122123

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.56
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.34
CCR4 P51679 1/20 0.33
MAPT P10636 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GAA P10253 2/20 0.33
TACR1 P25103 2/20 0.32
TSHR P16473 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL1709667 0.99 GHSR (0.56) GHSRALDH1A1KDM4EHPGDMEN1
SCHEMBL1709651 0.93 GHSR (0.56) GHSRALDH1A1KDM4EHPGDMEN1
SCHEMBL10122281 0.92 GHSR (0.56) GHSRALDH1A1KDM4EHPGDMEN1
SCHEMBL1709702 0.88 GHSR (0.59) GHSRKDM4EMEN1CYP1A2CYP2D6
SCHEMBL1709663 0.87 GHSR (0.58) GHSRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL1709675 0.86 GHSR (0.59) GHSRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1709623 0.86 GHSR (0.60) GHSRKDM4EMEN1CYP1A2CYP2D6
SCHEMBL10122181 0.85 GHSR (0.62) GHSRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL10122116 0.85 GHSR (0.54) GHSRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL10122118 0.85 GHSR (0.56) GHSRALDH1A1CYP1A2CYP3A4CYP2D6

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 3182/4885KDM4E 3334/4885

“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.