SCHEMBL4137982

SCHEMBL4137982

COc1ccccc1[S+]([O-])c1cc(C(=O)NC2CC2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
TSHR P16473 3/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
CRHR1 P34998 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ELANE P08246 4/20 0.39
CCR2 P41597 1/20 0.39
DRD4 P21917 1/20 0.38

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 0.87 SMN1; SMN2 (0.42) LMNATSHRPDE4BPDE4DCRHR1
SCHEMBL4136713 0.86 PDE4B (0.43) PDE4BPDE4DCRHR1TP53MAPT
SCHEMBL4281376 0.84 PDE4B (0.43) PDE4BPDE4DCRHR1TP53POLB
SCHEMBL4131400 0.82 ELANE (0.51) ELANE
SCHEMBL4137643 0.78 PDE4B (0.50) PDE4BPDE4DCRHR1TP53MEN1
SCHEMBL4125906 0.74 ELANE (0.49) LMNAPOLBCYP1A2ELANESMN1; SMN2
SCHEMBL4137945 0.73 ELANE (0.45) LMNATP53CYP1A2CYP2C19ELANE
SCHEMBL4135846 0.72 ELANE (0.48) LMNATP53POLBCYP1A2ELANE
SCHEMBL4141673 0.72 ELANE (0.48) LMNAMAPTMEN1KMT2ACYP1A2
SCHEMBL5758047 0.72 ELANE (0.56) PDE4BPDE4DCRHR1CRHR2TP53

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 LMNA 2525/4885TSHR 2561/4885PDE4B 348/4885

“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.