SCHEMBL5800965

SCHEMBL5800965

O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
HPGD P15428 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 3/20 0.54
DDX3X O00571 1/20 0.54
CYP19A1 P11511 2/20 0.54
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL4540927 0.90 MEN1 (0.55) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL11932409 0.87 CRHBP (0.60) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL12768025 0.87 CRHBP (0.76) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL16430541 0.87 CRHBP (0.57) CRHBPCRHR2HPGDL3MBTL1CA2
SCHEMBL7897512 0.84 CRHBP (0.68) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL20657419 0.84 HSD17B2 (0.53) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL21893366 0.84 CA2 (0.62) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL28821820 0.83 HPGD (0.70) CRHBPCRHR2HPGDL3MBTL1CA12
SCHEMBL4536549 0.82 ACLY (0.65) CRHBPCRHR2HPGDL3MBTL1KMT2A
SCHEMBL25330587 0.82 CA2 (0.49) CRHBPCRHR2HPGDL3MBTL1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20120172375-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION 2012-07-05 US 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-20120172375-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION DCX, CHAT, GMFG CRHBP 4163/4885CRHR2 4482/4885HPGD 778/4885

“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.