SCHEMBL5288031

SCHEMBL5288031

COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c3nonc23)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 3/20 0.56
MAPK1 P28482 2/20 0.54
TP53 P04637 4/20 0.51
LMNA P02545 4/20 0.50
TSHR P16473 4/20 0.50
HTT P42858 2/20 0.50
SHMT2 P34897 1/20 0.48
ACLY P53396 1/20 0.48
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
JAK2 O60674 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL5299209 0.90 MEN1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5243619 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5282082 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5244715 0.85 NPC1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5288457 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5281134 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5296878 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6392954 0.79 MAPT (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4805366 0.79 GHSR (0.70)
SCHEMBL4805378 0.79 GHSR (0.70)

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 ALDH1A1 2627/4885KMT2A 1303/4885MEN1 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.