SCHEMBL2995707

SCHEMBL2995707

COc1ccc(NC(=O)[C@@H](C)CNC(=O)O)cc1NS(=O)(=O)c1ccc(-c2ccccc2F)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ACLY P53396 8/20 0.45
PI4KB Q9UBF8 1/20 0.42
HTT P42858 1/20 0.42
GRM4 Q14833 1/20 0.42
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2995708 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL2988756 0.84 IDH1 (0.44) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL2984396 0.81 MAPT (0.53) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL2985933 0.78 ACLY (0.47) KMT2ALMNAMAPTACLYHTT
SCHEMBL2992280 0.77 ACLY (0.48) ALDH1A1KMT2ALMNAMAPTACLY
SCHEMBL2985941 0.76 GHSR (0.53) ALDH1A1KMT2ALMNAMAPTACLY
SCHEMBL2984159 0.76 GHSR (0.53) ALDH1A1KMT2ALMNAMAPTACLY
SCHEMBL2989977 0.76 GHSR (0.46) ALDH1A1KMT2ALMNAMAPTACLY
SCHEMBL2990832 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL2994634 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDKMT2ALMNA

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 3009/4885HPGD 1540/4885

“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.