SCHEMBL4132411

SCHEMBL4132411

CNC(=O)c1cc([S+]([O-])c2ncc(Br)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY5R Q15761 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CCR1 P32246 5/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4131349 0.90 ELANE (0.47) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4135846 0.87 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4136723 0.84 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4136684 0.83 ELANE (0.47) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4125906 0.82 ELANE (0.49) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4131032 0.82 ELANE (0.46) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4141673 0.81 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4135840 0.81 ELANE (0.52) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4136719 0.81 ELANE (0.58) ELANENOTUM
SCHEMBL4137740 0.79 ELANE (0.62) 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 2654/4885SMN1; SMN2 1429/4885

“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.