SCHEMBL1440880

SCHEMBL1440880

CCOC(=O)C1CC2(CCS(=O)(=O)CC2)CN1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL30753324 0.91 KDM4E (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL10468498 0.88 ALDH1A1 (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL10468840 0.87 ALDH1A1 (0.40) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL9337728 0.87 ALDH1A1 (0.40) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL25232302 0.85 CYP2D6 (0.36) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL24021029 0.84 KDM4E (0.34) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL1441645 0.84 KDM4E (0.34) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL17811563 0.84 BACE1 (0.39) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1440620 0.81 TSHR (0.35) KDM4EL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL12820211 0.80 KDM4E (0.36) KDM4ECYP1A2CYP2D6CYP2C9MAPK1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-20130072690-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-03-21 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 EP disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 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 (4 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-20150374668-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 KDM4E 4538/4885L3MBTL1 4696/4885CYP1A2 61/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 KDM4E 4538/4885L3MBTL1 4696/4885CYP1A2 61/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 KDM4E 4538/4885L3MBTL1 4696/4885CYP1A2 61/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 KDM4E 4538/4885L3MBTL1 4696/4885CYP1A2 61/4885

“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.