SCHEMBL15420543

SCHEMBL15420543

N#Cc1ccc(-c2ccc(OC[C@H]3COCC[C@@H]3NC(=O)O)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSC P53634 1/20 0.42
EGLN1 Q9GZT9 8/20 0.40
XDH P47989 1/20 0.38
SCN9A Q15858 3/20 0.37
DGAT1 O75907 1/20 0.37
ADORA2A P29274 1/20 0.37
KCNH2 Q12809 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
FASN P49327 1/20 0.36

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
SCHEMBL12989748 0.87 DGAT1 (0.39) XDHDGAT1KCNH2
SCHEMBL15420648 0.87 DGAT1 (0.39) XDHDGAT1KCNH2
SCHEMBL15420322 0.87 GRM5 (0.41) XDHDGAT1
SCHEMBL12989747 0.87 DGAT1 (0.39) XDHDGAT1KCNH2
SCHEMBL15420632 0.85 PPARD (0.45) SCN9ADGAT1KCNH2
SCHEMBL15420497 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420266 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420607 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420416 0.81 DGAT1 (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12989325 0.81 DGAT1 (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 KDM4E 2112/4885ALDH1A1 143/4885HPGD 2650/4885

“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.