SCHEMBL4497374

SCHEMBL4497374

O=C(OCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 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
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
AGTR1 P30556 2/20 0.40
PKM P14618 1/20 0.40
JMJD7 P0C870 1/20 0.39
GPR17 Q13304 2/20 0.39
P2RY2 P41231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4485761 0.88 HSP90AA1 (0.60) POLBHSP90AA1CXCR5APLNRCCR6
SCHEMBL4499968 0.88 ALDH1A1 (0.43) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL13713053 0.88 KMT2A (0.46) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4502723 0.87 PKM (0.47) POLBHSP90AA1CXCR5APLNRCCR6
SCHEMBL4493011 0.87 AGTR1 (0.51) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4505269 0.86 HSP90AA1 (0.45) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4489584 0.81 AGTR1 (0.44) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4502305 0.81 PKM (0.47) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4490408 0.78 RAB9A (0.48) HSP90AA1CXCR5APLNRCCR6MAPT
SCHEMBL4503359 0.77 AGTR1 (0.44) POLBHSP90AA1CXCR5APLNRCCR6

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 POLB 4066/4885HSP90AA1 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.