SCHEMBL1985159

SCHEMBL1985159

COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 3/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
CMA1 P23946 10/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 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
SCHEMBL12598149 1.00 ELANE (0.48) ELANECYP3A4CYP2C9NR1I2ABCB11
SCHEMBL8168154 0.90 CMA1 (0.51) ELANECMA1CTSLCTSBCTSK
SCHEMBL8352620 0.90 CMA1 (0.51) ELANECMA1CTSLCTSBCTSK
SCHEMBL7316962 0.90 CMA1 (0.51) ELANECMA1CTSLCTSBCTSK
SCHEMBL12599485 0.89 CYP3A4 (0.49) ELANECYP3A4CYP2C9NR1I2ABCB11
SCHEMBL13258959 0.86 CMA1 (0.51) ELANECMA1CTSLCTSBCTSK
SCHEMBL12566960 0.86 DPP4 (0.51) ELANECYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15692923 0.85 FKBP1A (0.46) ELANECYP3A4CYP2C9NR1I2ABCB11
SCHEMBL7362827 0.84 CMA1 (0.45) ELANECMA1
SCHEMBL8168155 0.84 CMA1 (0.61) ELANECMA1CTSLCTSBCTSK

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 19 patents. 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-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
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-9150587-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2015-10-06 US disclosed
US-20140371455-A1 Chemical compounds JANSSEN PHARMACEUTICALS INC (US) 2014-12-18 US disclosed
US-8853416-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2014-10-07 US disclosed
US-20130274304-A1 Chemical Compounds Janssen Pharmaceuticals, Inc. 2013-10-17 US disclosed
US-8492554-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 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
WO-2011091446-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-07-28 WO disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-6054593-A Proline derivatives ZENECA LIMITED (GB) 2000-04-25 US disclosed
US-6048889-A Proline derivatives ZENECA LIMITED (GB) 2000-04-11 US disclosed
US-5808097-A OXIDATION OF THE CORRESPONDING HYDROXY COMPOUND ZENECA LIMITED (GB) 1998-09-15 US disclosed
EP-0808327-A1 PROLINE DERIVATIVES USEFUL AS INHIBITORS OF HUMAN LEUKOCYTE ELASTASE ZENECA LIMITED (GB) 1997-11-26 EP disclosed
US-5686628-A Proline derivatives ZENECA LTD. (GB) 1997-11-11 US disclosed
WO-1996023812-A1 PROLINE DERIVATIVES USEFUL AS INHIBITORS OF HUMAN LEUKOCYTE ELASTASE ZENECA LIMITED (GB) 1996-08-08 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 (6 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 ELANE 181/4885CYP3A4 52/4885CYP2C9 40/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 ELANE 181/4885CYP3A4 52/4885CYP2C9 40/4885
US-20140371455-A1 Chemical compounds SLC10A1, UGT1A3, UGT2B7 ELANE 181/4885CYP3A4 52/4885CYP2C9 40/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 ELANE 181/4885CYP3A4 52/4885CYP2C9 40/4885
US-20130274304-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 ELANE 181/4885CYP3A4 52/4885CYP2C9 40/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 ELANE 181/4885CYP3A4 52/4885CYP2C9 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.