SCHEMBL2989977

SCHEMBL2989977

COc1ccc(NC(=O)[C@@H](C)CNC(=O)O)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.46
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACLY P53396 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL13245982 0.87 GHSR (0.48) GHSRACLYSMN1; SMN2LMNAMAPT
SCHEMBL2989979 0.86 GHSR (0.46) GHSRACLYSMN1; SMN2LMNAMAPT
SCHEMBL2985933 0.85 ACLY (0.47) ACLYLMNAMAPTMEN1HTT
SCHEMBL2992280 0.84 ACLY (0.48) PTGDRPTGDR2ACLYSMN1; SMN2LMNA
SCHEMBL2984159 0.84 GHSR (0.53) GHSRPTGDRPTGDR2ACLYSMN1; SMN2
SCHEMBL2985941 0.84 GHSR (0.53) GHSRPTGDRPTGDR2ACLYSMN1; SMN2
SCHEMBL2988756 0.84 IDH1 (0.44) GHSRPTGDRPTGDR2ACLYSMN1; SMN2
SCHEMBL2984396 0.83 MAPT (0.53) ACLYSMN1; SMN2LMNAMAPTMEN1
SCHEMBL2995707 0.76 ALDH1A1 (0.46) ACLYSMN1; SMN2LMNAMAPTMEN1
SCHEMBL2990832 0.74 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTMEN1HTT

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 GHSR 1/4885PTGDR 184/4885PTGDR2 351/4885

“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.