SCHEMBL4137945

SCHEMBL4137945

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.45
CCR1 P32246 3/20 0.43
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPY5R Q15761 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4125906 0.91 ELANE (0.49) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL4131125 0.90 ELANE (0.53) ELANECYP2C9
SCHEMBL8218336 0.89 ELANE (0.43) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL8220444 0.88 NOTUM (0.53) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL8218340 0.87 NOTUM (0.44) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL4131073 0.86 ELANE (0.66) ELANE
SCHEMBL8217868 0.86 ELANE (0.41) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL8218349 0.85 ELANE (0.40) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL4141673 0.83 ELANE (0.48) ELANECCR1NOTUMSMN1; SMN2NPY5R
SCHEMBL4135846 0.83 ELANE (0.48) ELANECCR1NOTUMSMN1; SMN2NPY5R

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 2/4885CCR1 208/4885NOTUM 2654/4885

“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.