SCHEMBL2990833

SCHEMBL2990833

COc1ccc(NC(=O)[C@H](C)N(C)C(=O)O)cc1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 7/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR27 Q9NS67 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
GHSR Q92847 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2992281 0.86 ACLY (0.48) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL2983173 0.84 SMN1; SMN2 (0.54) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2990832 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2984400 0.81 MAPT (0.54) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2994636 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2983460 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2995708 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2985934 0.75 ACLY (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL4666015 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2984160 0.73 GHSR (0.53) ALDH1A1KMT2ALMNAMAPTMAPK1

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 ALDH1A1 2521/4885KDM4E 3009/4885KMT2A 2218/4885

“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.