SCHEMBL5282343

SCHEMBL5282343

O=S(=O)(Nc1ccc2cn[nH]c2c1)c1c(O)ccc2nonc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.54
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL5301460 0.87 MEN1 (0.56) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5291311 0.86 ALDH1A1 (0.51) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5285716 0.74 KMT2A (0.61) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19329451 0.70 CASP6 (0.82) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21170283 0.68 CASP6 (0.66) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1143141 0.67 MEN1 (0.76) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7937679 0.65 MEN1 (0.68) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5295742 0.65 MEN1 (0.65) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL26715358 0.65 PKM (0.67) CASP6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1039064 0.65 MEN1 (0.71) CASP6ALDH1A1MEN1KMT2ACYP1A2

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
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP CASP6 2464/4885ALDH1A1 2627/4885MEN1 3562/4885

“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.