SCHEMBL17819346

SCHEMBL17819346

Cc1c(-c2ccnn2-c2ccc(C#N)cc2F)n(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.51
CYP3A4 P08684 2/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP2C9 P11712 2/20 0.37

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
SCHEMBL17819329 0.91 ELANE (0.50) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL17819304 0.89 ELANE (0.62) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL21828992 0.88 ELANE (0.47) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL17819289 0.87 ELANE (0.47) ELANECYP3A4CTSK
SCHEMBL17819345 0.83 ELANE (0.64) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL19677885 0.82 ELANE (0.61) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL15841229 0.81 ELANE (0.51) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL17819299 0.81 ELANE (0.62) ELANECYP3A4CTSKMEN1KMT2A
SCHEMBL17819301 0.80 ELANE (0.59) ELANECYP3A4CTSKMEN1KMT2A
Benzene SCHEMBL19639783 0.80 ELANE (0.47) ELANECYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168101-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-16 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 (1 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-20160168101-A1 NOVEL COMPOUNDS ELANE, SERPINB1, MPO ELANE 1/4885CYP3A4 1182/4885CTSK 46/4885

“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.