SCHEMBL4136713

SCHEMBL4136713

COc1cccc([S+]([O-])c2cc(C(=O)NC3CC3)c(=O)n(-c3cccc(C(F)(F)F)c3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4D Q08499 3/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 5/20 0.39
BRD4 O60885 1/20 0.39
CRHR1 P34998 4/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.38
CCR2 P41597 1/20 0.37
TTK P33981 1/20 0.37

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
SCHEMBL4138769 0.93 SMN1; SMN2 (0.42) PDE4BPDE4DTP53MAPTELANE
SCHEMBL4281376 0.87 PDE4B (0.43) PDE4BPDE4DTP53MAPTELANE
SCHEMBL4137982 0.86 LMNA (0.43) PDE4BPDE4DTP53MAPTELANE
SCHEMBL4131400 0.84 ELANE (0.51) ELANE
SCHEMBL4137643 0.77 PDE4B (0.50) PDE4BPDE4DTP53ELANECRHR1
SCHEMBL4125906 0.75 ELANE (0.49) ELANEALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL4141673 0.75 ELANE (0.48) MAPTELANEALDH1A1HPGDSMN1; SMN2
SCHEMBL4135846 0.75 ELANE (0.48) TP53ELANEALDH1A1HPGDSMN1; SMN2
SCHEMBL4137945 0.74 ELANE (0.45) TP53ELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL4130992 0.74 ELANE (0.51) ELANE

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 PDE4B 348/4885PDE4D 487/4885TP53 2935/4885

“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.