SCHEMBL1647843

SCHEMBL1647843

COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
HSD17B10 Q99714 5/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
KDM1A O60341 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
USP2 O75604 1/20 0.55
CREBBP Q92793 1/20 0.55
TSHR P16473 2/20 0.54
CASP1 P29466 1/20 0.54

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
SCHEMBL1647455 0.87 GLA (0.64) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL17478745 0.86 ALDH1A1 (0.72) HSD17B10ALDH1A1LMNAGAAHPGD
SCHEMBL1649376 0.86 POLB (0.66) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL6499156 0.81 POLB (0.51) KDM4EHSD17B10ALDH1A1LMNAGAA
SCHEMBL4004891 0.80 ALDH1A1 (0.61) KDM4EHSD17B10ALDH1A1LMNAGAA
SCHEMBL14696849 0.80 GLA (0.74) KDM4EHSD17B10ALDH1A1LMNAGAA
SCHEMBL4465322 0.79 POLB (0.62) KDM4EHSD17B10ALDH1A1LMNAGAA
SCHEMBL17479098 0.79 SMN1; SMN2 (0.64) KDM4EHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL12218547 0.78 TSHR (0.69) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL10176094 0.78 KMT2A (0.71) KDM4EALDH1A1LMNAGAASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596921-B Novel compounds GLAXO GROUP LTD 2015-04-29 CN disclosed
CN-104292154-A Novel compounds GLAXO GROUP LTD 2015-01-21 CN disclosed
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 KDM4E 3000/4885HSD17B10 3326/4885ALDH1A1 4183/4885

“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.