SCHEMBL745232

SCHEMBL745232

CCOC(=O)C1(CCCOC)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 3/20 0.55
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL743694 0.93 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL8242347 0.88 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6519623 0.88 CYP2D6 (0.56) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL8877337 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL745790 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL6520785 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL12085000 0.75 CYP3A4 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6521662 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL609304 0.73 KDM4E (0.79) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL745375 0.72 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTPOLB

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 disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US 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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 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
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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 (2 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 ALDH1A1 721/4885MEN1 4040/4885KMT2A 3947/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL ALDH1A1 691/4885MEN1 2464/4885KMT2A 830/4885

“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.