SCHEMBL1985177

SCHEMBL1985177

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(OC)cc2F)n[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.77
NQO1 P15559 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PAX8 Q06710 1/20 0.34
LPAR1 Q92633 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BMP1 P13497 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CXCR3 P49682 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 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
SCHEMBL1986948 0.89 GHSR (0.71) GHSRPOLB
SCHEMBL1990385 0.87 GHSR (1.00) GHSRALDH1A1POLBNPC1RAB9A
SCHEMBL10121677 0.85 GHSR (0.71) GHSRNQO1GSK3AGSK3BPAX8
SCHEMBL10122110 0.85 GHSR (0.71) GHSRNQO1GSK3AGSK3BALDH1A1
SCHEMBL10121929 0.85 GHSR (0.70) GHSRNQO1GSK3AGSK3BALDH1A1
SCHEMBL1981207 0.82 GHSR (0.81) GHSRPOLB
SCHEMBL1981210 0.82 GHSR (0.81) GHSRPOLB
SCHEMBL1989790 0.82 GHSR (0.72) GHSR
SCHEMBL1990788 0.82 GHSR (0.78) GHSRALDH1A1POLBBMP1ADRB2
SCHEMBL17631733 0.81 GHSR (0.82) 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-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 1/4885NQO1 2581/4885GSK3A 2376/4885

“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.