SCHEMBL2992280

SCHEMBL2992280

COc1ccc(NC(=O)[C@@H](C)CNC(=O)O)cc1NS(=O)(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
WDR5 P61964 4/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MYC P01106 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PTGDR Q13258 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
IDH1 O75874 3/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL2984396 0.88 MAPT (0.53) ACLYSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2991716 0.86 SMN1; SMN2 (0.54) ACLYSMN1; SMN2WDR5MAPTMEN1
SCHEMBL2989050 0.86 SMN1; SMN2 (0.54) ACLYSMN1; SMN2WDR5MAPTMEN1
SCHEMBL2990832 0.86 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL2985933 0.85 ACLY (0.47) ACLYMAPTMEN1KMT2ALMNA
SCHEMBL2989977 0.84 GHSR (0.46) ACLYSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2985941 0.84 GHSR (0.53) ACLYSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2984159 0.84 GHSR (0.53) ACLYSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2992281 0.83 ACLY (0.48) ACLYSMN1; SMN2WDR5MAPTMEN1
SCHEMBL2988756 0.82 IDH1 (0.44) ACLYSMN1; SMN2MAPTMEN1KMT2A

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-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS BLANEY EMMA LOUISE 2010-07-15 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-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS GHSR, GHRHR, GIPR ACLY 2756/4885SMN1; SMN2 2538/4885WDR5 2459/4885

“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.