SCHEMBL4490408

SCHEMBL4490408

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 2/20 0.48
CXCR5 P32302 2/20 0.48
APLNR P35414 2/20 0.48
CCR6 P51684 2/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
AGTR1 P30556 1/20 0.46
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 2/20 0.42
CA2 P00918 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.39
JMJD7 P0C870 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4488114 0.88 RAB9A (0.46) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4493011 0.83 AGTR1 (0.51) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4502305 0.81 PKM (0.47) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4502723 0.81 PKM (0.47) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL14816982 0.81 PKM (0.49) HSP90AA1KMT2ACYP1A2CYP2C19CA2
SCHEMBL13713053 0.80 KMT2A (0.46) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4494656 0.80 CYP1A2 (0.50) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4503359 0.79 AGTR1 (0.44) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL4489584 0.79 AGTR1 (0.44) RAB9AHSP90AA1CXCR5APLNRCCR6
SCHEMBL13713054 0.79 AGTR1 (0.54) RAB9AHSP90AA1CXCR5APLNRCCR6

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 6 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
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 RAB9A 2557/4885HSP90AA1 3864/4885CXCR5 93/4885

“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.