SCHEMBL5243164

SCHEMBL5243164

O=S(=O)(c1cccc2nonc12)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL5243713 0.84 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL8159362 0.83 KMT2A (0.58) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL5439162 0.82 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL6390286 0.81 KMT2A (0.45) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL5288013 0.78 KMT2A (0.67) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL5244144 0.76 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL5283824 0.75 ALDH1A1 (0.67) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL13598933 0.74 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL4786397 0.72 KMT2A (0.77) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL2962551 0.72 KMT2A (0.80) ALDH1A1POLBKMT2AMEN1LMNA

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 2627/4885POLB 2997/4885SMN1; SMN2 3058/4885

“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.