SCHEMBL4152306

SCHEMBL4152306

CCc1cc(C(=O)O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.62
BRD9 Q9H8M2 1/20 0.47
POLB P06746 1/20 0.46
ELANE P08246 2/20 0.46
FAAH O00519 1/20 0.46
CYP1A2 P05177 2/20 0.45
ALKBH5 Q6P6C2 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GSR P00390 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL5752612 0.88 NOTUM (0.76) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL29808797 0.88 NOTUM (0.76) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL4157201 0.87 CYP1A2 (0.52) NOTUMBRD9ELANECYP1A2MAPT
SCHEMBL4157208 0.87 NOTUM (0.56) NOTUMPOLBELANEFAAHCYP1A2
SCHEMBL8065166 0.85 NOTUM (0.65) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL4147646 0.85 NOTUM (0.54) NOTUMPOLBELANEFAAHCYP1A2
SCHEMBL984085 0.84 NOTUM (0.64) NOTUMBRD9POLBELANECYP1A2
SCHEMBL5789094 0.83 NOTUM (0.62) NOTUMPOLBELANEFAAHCYP1A2
SCHEMBL560810 0.82 NOTUM (0.61) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL8063220 0.82 NOTUM (0.61) NOTUMPOLBELANECYP1A2ALKBH5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
CN-101142189-A 2-pyridine derivatives as inhibitors of neutrophile elastase ASTRAZENECA AB (SE) 2008-03-12 CN disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 WO 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-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO NOTUM 2923/4885BRD9 3410/4885POLB 1396/4885

“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.