SCHEMBL4147646

SCHEMBL4147646

CSCCCc1cc(C(=O)O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.54
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 3/20 0.41
TLR8 Q9NR97 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSR P00390 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4157208 0.88 NOTUM (0.56) NOTUMCYP1A2ELANEPOLBFAAH
SCHEMBL4152306 0.85 NOTUM (0.62) NOTUMCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL29808797 0.80 NOTUM (0.76) NOTUMCYP1A2ELANEPOLBMAPT
SCHEMBL5752612 0.80 NOTUM (0.76) NOTUMCYP1A2ELANEPOLBMAPT
SCHEMBL8065166 0.78 NOTUM (0.65) NOTUMCYP1A2ELANEPOLBMAPT
SCHEMBL984085 0.77 NOTUM (0.64) NOTUMCYP1A2ELANEPOLBMAPT
SCHEMBL4022781 0.77 NOTUM (0.63) NOTUMCYP1A2ELANEPOLBMAPT
SCHEMBL5789094 0.76 NOTUM (0.62) NOTUMCYP1A2ELANEPOLBFAAH
SCHEMBL560810 0.76 NOTUM (0.61) NOTUMCYP1A2NPSR1ELANEPOLB
SCHEMBL8063220 0.76 NOTUM (0.61) NOTUMCYP1A2ELANEPOLBMAPT

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 3 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
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 2923/4885CYP1A2 388/4885CYP2C9 522/4885

“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.