SCHEMBL5757644

SCHEMBL5757644

CS(=O)(=O)c1ccc(CN)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PSIP1 O75475 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTSC P53634 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL1605382 0.83 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGL3MBTL1
SCHEMBL1605407 0.83 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGKCNJ1
SCHEMBL27624387 0.81 KCNJ1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKCNJ1
SCHEMBL8405350 0.75 L3MBTL1 (0.58) LOXL2PSIP1L3MBTL1KCNH2CA1
SCHEMBL15228357 0.75 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGL3MBTL1
SCHEMBL27784393 0.75 CA2 (0.44) LOXL2PSIP1KCNJ1KCNH2CA1
SCHEMBL5273904 0.74 PSIP1 (0.40) LOXL2PSIP1L3MBTL1KCNH2CA1
SCHEMBL28732665 0.74 CA2 (0.47) PSIP1L3MBTL1CA1CA2CA12
SCHEMBL5755638 0.74 CA2 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPSIP1
SCHEMBL1263198 0.74 CCR2 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 LOXL2 271/4885PIK3CD 3904/4885PIK3CA 2609/4885

“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.