SCHEMBL4494656

SCHEMBL4494656

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
TXNRD1 Q16881 1/20 0.49
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CXCR5 P32302 1/20 0.48
APLNR P35414 1/20 0.48
CCR6 P51684 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
AGTR1 P30556 1/20 0.46
NPC1 O15118 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 5/20 0.41
RECQL P46063 1/20 0.41
NQO2 P16083 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4497526 0.83 CYP2C19 (0.45) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4490408 0.80 RAB9A (0.48) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL13713054 0.79 AGTR1 (0.54) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4973717 0.79 RAB9A (0.56) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4493818 0.78 L3MBTL1 (0.53) KMT2ARAB9AALDH1A1SMN1; SMN2PPARD
SCHEMBL4500725 0.76 AGTR1 (0.51) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4500717 0.76 AGTR1 (0.51) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4494550 0.76 AGTR1 (0.48) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4494542 0.76 AGTR1 (0.48) CYP1A2GAAKMT2ARAB9AHSP90AA1
SCHEMBL4494547 0.75 AGTR1 (0.50) CYP1A2GAAKMT2ARAB9AHSP90AA1

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 CYP1A2 416/4885GAA 782/4885TXNRD1 2260/4885

“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.