SCHEMBL4124463

SCHEMBL4124463

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.63
CYP2C9 P11712 1/20 0.42
CYP3A4 P08684 1/20 0.42
NOTUM Q6P988 1/20 0.41
IDH1 O75874 1/20 0.41
PRTN3 P24158 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
SCHEMBL4123923 0.89 ELANE (0.51) ELANECYP2C9CYP3A4PRTN3
SCHEMBL4132088 0.88 ELANE (0.53) ELANECYP2C9NOTUM
SCHEMBL4137740 0.82 ELANE (0.62) ELANECYP2C9CYP3A4NOTUM
SCHEMBL4398302 0.79 IDH1 (0.55) ELANECYP2C9CYP3A4NOTUMIDH1
SCHEMBL4132323 0.79 ELANE (0.71) ELANE
SCHEMBL4132268 0.78 ELANE (0.70) ELANE
SCHEMBL2275517 0.77 ELANE (0.77) ELANECYP2C9CYP3A4NOTUM
SCHEMBL2273394 0.77 ELANE (1.00) ELANECYP2C9
SCHEMBL2272159 0.77 ELANE (0.79) ELANECYP2C9CYP3A4
SCHEMBL4136719 0.77 ELANE (0.58) ELANECYP2C9NOTUM

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.