SCHEMBL2994634

SCHEMBL2994634

COc1ccc(NC(=O)[C@@H](C)CNC(=O)O)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 5/20 0.43
GHSR Q92847 5/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.41
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 2/20 0.39
CASR P41180 1/20 0.37

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
SCHEMBL13245955 0.88 KMT2A (0.46) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL13245954 0.88 KMT2A (0.46) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL13245971 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL2994636 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL13245965 0.86 AAK1 (0.47) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL13245969 0.86 AAK1 (0.47) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL14397652 0.85 KMT2A (0.46) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2987425 0.85 AAK1 (0.47) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL13245956 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL2993989 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBMAPK1SMN1; SMN2

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 3009/4885POLB 4727/4885

“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.