SCHEMBL1428456

SCHEMBL1428456

COc1ccc(C(CC(=O)O)c2ccccc2)cc1S(=O)(=O)N=C(N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CTSA P10619 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FFAR1 O14842 1/20 0.39

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
SCHEMBL1429007 0.91 PDE4D (0.43) F2PRSS1PRSS2PRSS3TNF
SCHEMBL29883153 0.80 TNF (0.60) KEAP1NFE2L2TNFPDE4APDE4B
SCHEMBL29174154 0.80 TNF (0.60) KEAP1NFE2L2TNFPDE4APDE4B
SCHEMBL7183447 0.74 PDE4A (0.64) KEAP1NFE2L2TNFPDE4APDE4B
SCHEMBL9115691 0.74 TNF (0.58) KEAP1NFE2L2TNFPDE4APDE4B
SCHEMBL1428480 0.74 ALDH1A1 (0.46) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL29184115 0.73 TNF (0.59) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1428388 0.73 ALDH1A1 (0.45) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL27702960 0.72 GAA (0.52) KEAP1NFE2L2TNFPDE4APDE4B
SCHEMBL6885590 0.70 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D

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-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 — — EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 — — US disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 — — US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 — — EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — 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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 F2 716/4885PRSS1 952/4885PRSS2 1072/4885

“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.

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