SCHEMBL1709710

SCHEMBL1709710

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.59
MCHR1 Q99705 2/20 0.41
NAMPT P43490 6/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
FPR2 P25090 1/20 0.37
EPHX2 P34913 4/20 0.37
PPARA Q07869 3/20 0.37
PTGS2 P35354 1/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL10121668 0.91 GHSR (0.55) GHSRMCHR1NAMPTAURKAAURKB
SCHEMBL1709689 0.90 GHSR (0.57) GHSRNAMPTAURKAAURKBPOLB
SCHEMBL10121950 0.85 GHSR (0.64) GHSRAURKAAURKBEPHX2POLB
SCHEMBL10121959 0.84 GHSR (0.59) GHSRNAMPTAURKAAURKB
SCHEMBL17631733 0.84 GHSR (0.82) GHSRMCHR1
SCHEMBL10121682 0.84 GHSR (0.69) GHSRPPARAPPARG
SCHEMBL10121689 0.83 GHSR (0.61) GHSREPHX2
SCHEMBL10122103 0.83 GHSR (0.65) GHSR
SCHEMBL10122211 0.83 GHSR (0.60) GHSRPOLB
SCHEMBL10121676 0.82 GHSR (0.64) GHSR

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 1/4885MCHR1 378/4885NAMPT 1809/4885

“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.