SCHEMBL5244644

SCHEMBL5244644

CC(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc3nonc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
NPC1 O15118 1/20 0.62
TLR9 Q9NR96 1/20 0.62
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 3/20 0.45
MAPT P10636 4/20 0.45
MET P08581 1/20 0.43
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL18711645 0.82 ALDH1A1 (0.55) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL5285381 0.80 KMT2A (0.58) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL5246129 0.79 ALDH1A1 (0.75) KMT2AALDH1A1MEN1MAPTMET
SCHEMBL5288051 0.77 KMT2A (0.57) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL18711450 0.76 CNR1 (0.68) KMT2AALDH1A1MEN1MAPTMET
SCHEMBL5242980 0.75 KMT2A (0.53) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL5290611 0.75 ALDH1A1 (0.43) KMT2ANPC1TLR9ALDH1A1MAPT
SCHEMBL5281618 0.74 KMT2A (0.49) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL5292223 0.73 ALDH1A1 (0.50) KMT2ANPC1TLR9ALDH1A1MEN1
SCHEMBL18575963 0.72 KMT2A (0.48) KMT2ANPC1TLR9ALDH1A1MEN1

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 KMT2A 1303/4885NPC1 1567/4885TLR9 2693/4885

“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.