SCHEMBL4139725

SCHEMBL4139725

CNC(=O)c1cc([S+]([O-])c2ccc(C#N)s2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.52
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL4137740 0.84 ELANE (0.62) ELANENOTUMCYP2C9
SCHEMBL4136719 0.81 ELANE (0.58) ELANENOTUMCYP2C9
SCHEMBL4135840 0.81 ELANE (0.52) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4125906 0.80 ELANE (0.49) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4135846 0.79 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4141673 0.79 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4132411 0.77 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4136723 0.77 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4131125 0.76 ELANE (0.53) ELANECYP2C9
SCHEMBL4131349 0.76 ELANE (0.47) ELANENOTUMKDM4EALDH1A1SMN1; SMN2

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 2654/4885KDM4E 977/4885

“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.