SCHEMBL4136719

SCHEMBL4136719

CNC(=O)c1cc([S+]([O-])c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.58
NOTUM Q6P988 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL8063836 0.91 ELANE (0.47) ELANENOTUMCYP2C9
SCHEMBL4143471 0.88 ELANE (0.59) ELANE
SCHEMBL4131349 0.88 ELANE (0.47) ELANENOTUM
SCHEMBL4136684 0.88 ELANE (0.47) ELANENOTUM
SCHEMBL4137740 0.88 ELANE (0.62) ELANENOTUMCYP2C9
SCHEMBL8234515 0.88 ELANE (0.48) ELANE
SCHEMBL4131032 0.86 ELANE (0.46) ELANENOTUM
SCHEMBL4135840 0.84 ELANE (0.52) ELANENOTUMCYP2C9
SCHEMBL4136723 0.82 ELANE (0.48) ELANENOTUM
SCHEMBL4132411 0.81 ELANE (0.48) ELANENOTUM

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 2/4885NOTUM 2654/4885CYP2C9 524/4885

“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.