SCHEMBL4494542

SCHEMBL4494542

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48
KMT2A Q03164 3/20 0.47
HSP90AA1 P07900 2/20 0.47
CXCR5 P32302 2/20 0.47
APLNR P35414 2/20 0.47
CCR6 P51684 2/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.47
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
CYP2C19 P33261 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL4494550 1.00 AGTR1 (0.48) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4973717 0.78 RAB9A (0.56) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL13713054 0.78 AGTR1 (0.54) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4500717 0.78 AGTR1 (0.51) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4500725 0.78 AGTR1 (0.51) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4494547 0.77 AGTR1 (0.50) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4494656 0.76 CYP1A2 (0.50) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4490408 0.76 RAB9A (0.48) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4488114 0.74 RAB9A (0.46) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4497221 0.72 AGTR1 (0.51) AGTR1KMT2AHSP90AA1CXCR5APLNR

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 1075/4885HSP90AA1 3864/4885

“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.