SCHEMBL1647314

SCHEMBL1647314

COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
APEX1 P27695 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL1647434 0.90 KMT2A (0.63) ALDH1A1MEN1KMT2APOLB
SCHEMBL1647944 0.89 MAPT (0.64) MAPTALDH1A1HSD17B10GAAL3MBTL1
SCHEMBL1647823 0.89 MEN1 (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1318286 0.81 LRRK2 (0.64) MAPTALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL6917365 0.80 MAPT (0.68) MAPTLMNAKMT2APOLB
SCHEMBL1647420 0.79 HSD17B10 (0.70) MAPTALDH1A1HSD17B10LMNAGAA
SCHEMBL1647449 0.79 KMT2A (0.57) MAPTHSD17B10GAAL3MBTL1APEX1
SCHEMBL1648022 0.78 POLB (0.65) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL1647843 0.78 KDM4E (0.62) ALDH1A1HSD17B10LMNAGAAL3MBTL1
SCHEMBL4004891 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNAGAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 MAPT 9/4885ALDH1A1 4183/4885HSD17B10 3326/4885

“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.