SCHEMBL14760482

SCHEMBL14760482

COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)N[C@@H]1c1ccc(C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.70
CYP2C9 P11712 7/20 0.70
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL2678551 1.00 ELANE (0.70) ELANECYP2C9KMT2APOLBCYP3A4
SCHEMBL2678247 0.91 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL14760555 0.91 ELANE (0.83) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8344863 0.91 ELANE (0.83) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL18204106 0.90 ELANE (0.70) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2677248 0.90 ELANE (0.82) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2679151 0.90 ELANE (0.70) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2678317 0.89 ELANE (0.67) ELANECYP2C9KMT2ACYP3A4TDP1
SCHEMBL2678382 0.89 ELANE (0.69) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2677742 0.88 ELANE (0.73) ELANECYP2C9CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101413-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-04-13 US disclosed
EP-2766366-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS HUMAN NEUTROPHIL ELASTASE INHBITORS CHIESI FARMA SPA (IT) 2016-11-09 EP disclosed
US-9023855-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9023855-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9023855-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
EP-2766366-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-20 EP disclosed
US-20140179714-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-26 US disclosed
US-20140179714-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-26 US disclosed
US-20140179714-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-26 US disclosed
WO-2013037809-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-21 WO disclosed
WO-2013037809-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-21 WO disclosed
US-20130065913-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-14 US disclosed
US-20130065913-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-14 US disclosed
US-20130065913-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-14 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 (3 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-20130065913-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 2139/4885KMT2A 4327/4885
US-20170101413-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MMP8 ELANE 2/4885CYP2C9 2527/4885KMT2A 3523/4885
US-20140179714-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 2135/4885KMT2A 4328/4885

“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.