SCHEMBL10122113

SCHEMBL10122113

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CC2CSc3ccccc3O2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.56
ADRA1A P35348 1/20 0.31
CCR4 P51679 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1709598 0.87 GHSR (0.58) GHSRMEN1KMT2A
SCHEMBL1709634 0.86 GHSR (0.56) GHSRCCR4
SCHEMBL1709621 0.81 GHSR (0.56) GHSRCCR4
SCHEMBL1709615 0.81 GHSR (0.61) GHSRADRA1ACCR4TP53CYP1A2
SCHEMBL10121926 0.79 GHSR (0.67) GHSRADRA1ACCR4CYP1A2TSHR
SCHEMBL1709708 0.79 GHSR (0.67) GHSRADRA1ACCR4CYP1A2CYP2D6
SCHEMBL10121964 0.79 GHSR (0.69) GHSRADRA1ACCR4CYP1A2CYP3A4
SCHEMBL1709649 0.78 GHSR (0.68) GHSRADRA1ACCR4CYP1A2CYP3A4
SCHEMBL1988495 0.78 GHSR (0.62) GHSRADRA1ACCR4TP53MEN1
SCHEMBL1709559 0.77 GHSR (0.67) GHSRADRA1ACCR4CYP1A2CYP2C19

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 1/4885ADRA1A 3128/4885CCR4 3489/4885

“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.