SCHEMBL1979535

SCHEMBL1979535

COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(=O)O)CC(F)(F)C2)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
NR1I2 O75469 5/20 0.36
CYP2C9 P11712 3/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
PEPD P12955 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL1981741 0.89 PEPD (0.42) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL19792172 0.89 PEPD (0.45) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL12773346 0.89 PEPD (0.45) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL1646177 0.88 CYP3A4 (0.37) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL1646971 0.84 PEPD (0.39) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL1981085 0.84 PEPD (0.39) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL12098526 0.84 PEPD (0.39) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL1981957 0.83 PEPD (0.40) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL12772907 0.83 CYP3A4 (0.36) CYP3A4NR1I2CYP2C9ABCB11OPRK1
SCHEMBL12820267 0.82 PEPD (0.32) PEPD

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 37 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-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

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 CYP3A4 52/4885NR1I2 256/4885CYP2C9 40/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 CYP3A4 52/4885NR1I2 256/4885CYP2C9 40/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 CYP3A4 52/4885NR1I2 256/4885CYP2C9 40/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 CYP3A4 52/4885NR1I2 256/4885CYP2C9 40/4885

“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.