SCHEMBL14770285

SCHEMBL14770285

CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)NC(=S)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.70
▸ CYP2C9 P11712 6/20 0.70
▸ CYP3A4 P08684 4/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TSHR P16473 2/20 0.49

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
SCHEMBL13872894 0.92 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL8217872 0.92 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL2678247 0.91 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL2677742 0.88 ELANE (0.73) ELANECYP2C9CYP3A4
SCHEMBL14760482 0.88 ELANE (0.70) ELANECYP2C9CYP3A4MEN1KMT2A
SCHEMBL2678551 0.88 ELANE (0.70) ELANECYP2C9CYP3A4MEN1KMT2A
SCHEMBL8281837 0.87 ELANE (0.77) ELANECYP2C9CYP3A4
SCHEMBL2679151 0.86 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL18204106 0.86 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL4547757 0.86 ELANE (0.70) ELANECYP2C9CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (2 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 2139/4885CYP3A4 1766/4885
US-20140179714-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 2135/4885CYP3A4 1764/4885

“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.

Send feedback