SCHEMBL1990209

SCHEMBL1990209

CCN(CC)CCCS(=O)(=O)N[C@H](CC(C)C)c1nc(-c2ccc(OC)cc2)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.75
USP2 O75604 1/20 0.39
KMT2A Q03164 6/20 0.37
RAD52 P43351 3/20 0.37
ESR1 P03372 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
MCHR1 Q99705 1/20 0.33
ROCK2 O75116 1/20 0.32
GRK2 P25098 1/20 0.32
CYP1A2 P05177 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
SCHEMBL1988332 1.00 GHSR (0.75) GHSRUSP2KMT2ARAD52ESR1
SCHEMBL1989937 0.87 GHSR (0.86) GHSRUSP2KMT2ARAD52MEN1
SCHEMBL1989162 0.87 GHSR (0.86) GHSRUSP2KMT2ARAD52MEN1
SCHEMBL1990385 0.86 GHSR (1.00) GHSRUSP2KMT2ARAD52POLB
SCHEMBL10122297 0.85 GHSR (0.72) GHSRUSP2KMT2ARAD52ESR1
SCHEMBL10122296 0.85 GHSR (0.72) GHSRUSP2KMT2ARAD52ESR1
SCHEMBL17631733 0.76 GHSR (0.82) GHSRMCHR1
SCHEMBL1985177 0.75 GHSR (0.77) GHSRKMT2APOLBL3MBTL3ALDH1A1
SCHEMBL1994335 0.75 GHSR (0.81) GHSRKMT2AMEN1GAA
SCHEMBL1981207 0.75 GHSR (0.81) GHSRPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017075535-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed
US-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF SAUNDERS JEFFREY O 2011-06-23 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-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF GHSR, GHRHR, SSTR2 GHSR 1/4885USP2 1469/4885KMT2A 3020/4885

“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.