SCHEMBL744275

SCHEMBL744275

CCOC(=O)C1(CCOC)CCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL744162 0.78 MAPK1 (0.55) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL743667 0.78 MAPK1 (0.55) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL743694 0.75 ALDH1A1 (0.60) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL745790 0.73 ALDH1A1 (0.57) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL12447323 0.72 MAPK1 (0.50) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL743660 0.70 MAPK1 (0.53) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL745022 0.70 MEN1 (0.56) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL336548 0.70 MAPK1 (0.54) MAPK1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL745232 0.69 ALDH1A1 (0.58) KDM4EKMT2AMEN1MAPTATM
SCHEMBL5270 0.69 MAPK1 (0.55) MAPK1L3MBTL1KDM4EKMT2AMEN1

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-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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP 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 (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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MAPK1 2258/4885L3MBTL1 1353/4885KDM4E 905/4885

“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.