SCHEMBL6519623

SCHEMBL6519623

COCCCC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.56
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 3/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL745232 0.88 ALDH1A1 (0.58) CYP2D6KMT2AALDH1A1MEN1POLB
SCHEMBL743694 0.80 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPK1L3MBTL1
SCHEMBL12085000 0.79 CYP3A4 (0.50) CYP2D6KMT2ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL6519630 0.79 CYP2D6 (0.68) CYP2D6KMT2ATSHRSMN1; SMN2CYP2C19
SCHEMBL744033 0.79 CCR1 (0.45) CYP2D6HPGDALDH1A1MAPK1GAA
SCHEMBL8242347 0.77 ALDH1A1 (0.49) KMT2AALDH1A1MEN1L3MBTL1POLB
SCHEMBL2702763 0.77 CYP2D6 (0.64) CYP2D6KMT2ATSHRSMN1; SMN2CYP2C19
SCHEMBL2699819 0.74 LMNA (0.60) CYP2D6KMT2AALDH1A1MEN1CYP3A4
SCHEMBL746546 0.73 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPK1CYP1A2
SCHEMBL6519705 0.73 CYP2D6 (0.71) CYP2D6KMT2ATSHRSMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 3947/4885HPGD 1976/4885

“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.