SCHEMBL4281376

SCHEMBL4281376

Cc1c([S+]([O-])c2ccc(O)cc2)cc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
ELANE P08246 11/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
DRD4 P21917 1/20 0.36
CRHR1 P34998 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
SCHEMBL4138769 0.91 SMN1; SMN2 (0.42) PDE4BPDE4DELANENOTUMNPC1
SCHEMBL4131400 0.90 ELANE (0.51) ELANE
SCHEMBL4136713 0.87 PDE4B (0.43) PDE4BPDE4DELANENOTUMNPC1
SCHEMBL4137982 0.84 LMNA (0.43) PDE4BPDE4DELANENOTUMNPC1
SCHEMBL4125906 0.81 ELANE (0.49) ELANENOTUMSMN1; SMN2POLB
SCHEMBL4135846 0.81 ELANE (0.48) ELANENOTUMTP53HPGDSMN1; SMN2
SCHEMBL4141673 0.81 ELANE (0.48) ELANENOTUMHPGDSMN1; SMN2MEN1
SCHEMBL4137945 0.80 ELANE (0.45) ELANENOTUMTP53SMN1; SMN2
SCHEMBL4137643 0.80 PDE4B (0.50) PDE4BPDE4DELANENOTUMNPC1
SCHEMBL4134814 0.79 ELANE (0.49) 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 487/4885ELANE 2/4885

“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.