SCHEMBL2994636

SCHEMBL2994636

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
GHSR Q92847 7/20 0.43
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL13245954 0.88 KMT2A (0.46) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL13245971 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL2994634 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL14397652 0.85 KMT2A (0.46) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL13245969 0.84 AAK1 (0.47) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL13245965 0.84 AAK1 (0.47) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL2993989 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EGHSRKMT2ALMNA
SCHEMBL2987863 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EGHSRKMT2ALMNA
Hydrochloric Acid SCHEMBL2987425 0.83 AAK1 (0.47) ALDH1A1KDM4EGHSRKMT2ALMNA

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 3009/4885GHSR 1/4885

“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.