SCHEMBL1709540

SCHEMBL1709540

CCN(CC)CCCS(=O)(=O)N(CCc1ccc(OC)cc1)Cc1nc(-c2ccc(OC)cc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.57
BMP1 P13497 5/20 0.44
KMT2A Q03164 3/20 0.38
RAD52 P43351 2/20 0.38
MCHR1 Q99705 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
USP2 O75604 1/20 0.37
ROCK2 O75116 2/20 0.37
GRK2 P25098 2/20 0.37
CXCR3 P49682 1/20 0.36
PRKCA P17252 1/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL1709537 0.95 GHSR (0.63) GHSRBMP1KMT2ARAD52TAS2R14
SCHEMBL1709659 0.74 GHSR (0.41) GHSRKMT2AMEN1POLB
SCHEMBL1990385 0.73 GHSR (1.00) GHSRBMP1KMT2ARAD52TAS2R14
SCHEMBL10121785 0.71 BMP1 (0.37) GHSRBMP1KMT2AUSP2MEN1
SCHEMBL10122296 0.70 GHSR (0.72) GHSRKMT2ARAD52USP2ESR1
SCHEMBL10122297 0.70 GHSR (0.72) GHSRKMT2ARAD52USP2CXCR3
SCHEMBL1990209 0.70 GHSR (0.75) GHSRKMT2ARAD52MCHR1USP2
SCHEMBL1988332 0.70 GHSR (0.75) GHSRKMT2ARAD52MCHR1USP2
SCHEMBL1989162 0.70 GHSR (0.86) GHSRKMT2ARAD52TAS2R14USP2
SCHEMBL1989937 0.70 GHSR (0.86) GHSRKMT2ARAD52TAS2R14USP2

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 1/4885BMP1 2622/4885KMT2A 1620/4885

“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.