SCHEMBL4497221

SCHEMBL4497221

O=C(O)c1ccccc1CCS(=O)(=O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.51
KMT2A Q03164 7/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 2/20 0.41
CXCR5 P32302 2/20 0.41
APLNR P35414 2/20 0.41
CCR6 P51684 2/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 4/20 0.40
FOLH1 Q04609 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4497219 1.00 AGTR1 (0.51) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4503113 0.86 HSP90AA1 (0.45) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4503829 0.78 HSP90AA1 (0.41) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4503826 0.78 HSP90AA1 (0.41) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL13713054 0.76 AGTR1 (0.54) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4500725 0.75 AGTR1 (0.51) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4500717 0.75 AGTR1 (0.51) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4493011 0.74 AGTR1 (0.51) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4494547 0.74 AGTR1 (0.50) AGTR1KMT2ARAB9AHSP90AA1CXCR5
SCHEMBL4503359 0.73 AGTR1 (0.44) AGTR1KMT2ARAB9AHSP90AA1CXCR5

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 4 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
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 AGTR1 3568/4885KMT2A 1075/4885RAB9A 2557/4885

“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.