SCHEMBL4137740

SCHEMBL4137740

CNC(=O)c1cc([S+]([O-])c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.62
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL4138859 0.92 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL4131125 0.92 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL17378378 0.90 ELANE (0.50) ELANECYP2C9CYP3A4NOTUM
SCHEMBL983524 0.90 ELANE (0.50) ELANECYP2C9CYP3A4NOTUM
SCHEMBL4138616 0.90 ELANE (0.52) ELANECYP2C9
SCHEMBL16328987 0.90 ELANE (0.55) ELANE
SCHEMBL18880049 0.90 ELANE (0.49) ELANECYP2C9CYP3A4NOTUM
SCHEMBL3967256 0.90 ELANE (0.49) ELANECYP2C9CYP3A4NOTUM
SCHEMBL4125906 0.89 ELANE (0.49) ELANENOTUM
SCHEMBL4131400 0.89 ELANE (0.51) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 US claimed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 524/4885CYP3A4 141/4885

“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.