SCHEMBL4125906

SCHEMBL4125906

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.49
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CCR1 P32246 3/20 0.42
NPY5R Q15761 1/20 0.41
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4141673 0.92 ELANE (0.48) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4135846 0.92 ELANE (0.48) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4137945 0.91 ELANE (0.45) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8220444 0.90 NOTUM (0.53) ELANENOTUMSMN1; SMN2CCR1NPY5R
SCHEMBL4137740 0.89 ELANE (0.62) ELANENOTUM
SCHEMBL8218340 0.89 NOTUM (0.44) ELANENOTUMSMN1; SMN2CCR1NPY5R
SCHEMBL8218336 0.87 ELANE (0.43) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4131073 0.86 ELANE (0.66) ELANE
SCHEMBL8217868 0.84 ELANE (0.41) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4135840 0.84 ELANE (0.52) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1

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.