SCHEMBL6519630

SCHEMBL6519630

O=C(O)C1(CO)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.68
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
USP2 O75604 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL6521442 0.87 CYP2C19 (0.62) CYP2D6KMT2AALDH1A1MEN1POLB
SCHEMBL2702763 0.85 CYP2D6 (0.64) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL6521612 0.83 FAAH (0.50) CYP2D6KMT2AMAPK1GAA
SCHEMBL7824315 0.81 CYP2D6 (1.00) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL8877209 0.80 CYP2D6 (0.57) CYP2D6KMT2AALDH1A1MEN1POLB
SCHEMBL6519623 0.79 CYP2D6 (0.56) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL27757118 0.78 CYP2D6 (0.58) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL11888956 0.78 CYP2D6 (0.71) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL6519705 0.78 CYP2D6 (0.71) CYP2D6KMT2AALDH1A1MEN1MAPK1
SCHEMBL8877723 0.77 CYP2D6 (0.57) CYP2D6KMT2AALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102498099-B HSL inhibitors useful in the treatment of diabetes HOFFMAN-LA ROCHE LTD. (CH) 2014-10-29 CN claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
CN-102498099-B HSL inhibitors useful in the treatment of diabetes HOFFMAN-LA ROCHE LTD. (CH) 2014-10-29 CN disclosed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL CYP2D6 2042/4885KMT2A 3947/4885ALDH1A1 721/4885

“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.