SCHEMBL4131032

SCHEMBL4131032

CNC(=O)c1cc([S+]([O-])c2ccc(C(N)=O)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
GPR52 Q9Y2T5 1/20 0.40
NOTUM Q6P988 1/20 0.38
PLA2G10 O15496 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
SCN9A Q15858 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
VNN1 O95497 1/20 0.35
CCR1 P32246 3/20 0.35
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
SYK P43405 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
SCHEMBL8234359 0.91 NOTUM (0.46) ELANEGPR52NOTUMPLA2G10NTRK1
SCHEMBL4136684 0.89 ELANE (0.47) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4131349 0.89 ELANE (0.47) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL8234300 0.87 ELANE (0.40) ELANEGPR52NOTUMKDM4EALDH1A1
SCHEMBL4136719 0.86 ELANE (0.58) ELANENOTUM
SCHEMBL8220137 0.83 NOTUM (0.40) ELANENOTUMPLA2G10LMNACCR1
SCHEMBL4136723 0.83 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4132411 0.82 ELANE (0.48) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4125906 0.80 ELANE (0.49) ELANENOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4141673 0.79 ELANE (0.48) 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 2/4885GPR52 1530/4885NOTUM 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.