SCHEMBL2990832

SCHEMBL2990832

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR27 Q9NS67 1/20 0.45
NAMPT P43490 1/20 0.44
TSHR P16473 1/20 0.44
NHERF1 O14745 1/20 0.43
HTT P42858 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
SCHEMBL2992280 0.86 ACLY (0.48) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL2983173 0.85 SMN1; SMN2 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL2990833 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL2984396 0.81 MAPT (0.53) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL4666015 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL2995707 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL2983460 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL2985933 0.75 ACLY (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL2985941 0.74 GHSR (0.53) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL2989977 0.74 GHSR (0.46) ALDH1A1SMN1; SMN2POLBKMT2AMEN1

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 3009/4885SMN1; SMN2 2538/4885

“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.