SCHEMBL4497526

SCHEMBL4497526

CC(C)(C)OC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.41
AGTR1 P30556 1/20 0.41
BRD4 O60885 1/20 0.41
PPARD Q03181 4/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4494656 0.83 CYP1A2 (0.50) CYP2C19RAB9AHSP90AA1CXCR5APLNR
SCHEMBL4500668 0.78 CYP2C19 (0.48) CYP2C19CA1CA2CA12CA9
SCHEMBL10233481 0.78 CA12 (0.48) CYP2C19CA1CA2CA12CA9
SCHEMBL16980508 0.77 CA12 (0.49) CYP2C19CA1CA2CA12CA9
SCHEMBL31294842 0.76 CA12 (0.50) CYP2C19CA1CA2CA12CA9
SCHEMBL26098588 0.76 PKM (0.47) CA1CA2CA12CA9KMT2A
SCHEMBL31455662 0.76 CYP2C19 (0.51) CYP2C19CA1CA2CA12CA9
SCHEMBL23728682 0.75 BCHE (0.45) CYP2C19CA1CA2CA12CA9
SCHEMBL22371541 0.75 BCHE (0.45) CYP2C19CA1CA2CA12CA9
SCHEMBL30980621 0.75 BCHE (0.45) CYP2C19CA1CA2CA12CA9

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
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 CYP2C19 385/4885CA1 1443/4885CA2 949/4885

“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.