SCHEMBL5280469

SCHEMBL5280469

O=S(=O)(c1c(Cl)ccc2nonc12)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR9 Q9NR96 1/20 0.47
SIGMAR1 Q99720 1/20 0.40
AVPR1A P37288 7/20 0.40
OXTR P30559 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL6391427 0.85 AVPR1A (0.43) SIGMAR1AVPR1A
SCHEMBL6390882 0.82 NPC1 (0.47) NPC1KMT2ATLR9SIGMAR1
SCHEMBL5285381 0.78 KMT2A (0.58) NPC1KMT2ATLR9
SCHEMBL5281210 0.76 AVPR1A (0.46) AVPR1A
SCHEMBL19608944 0.74 ALDH1A1 (0.58) KMT2ASIGMAR1
SCHEMBL5244644 0.71 KMT2A (0.62) NPC1KMT2ATLR9
SCHEMBL5343964 0.71 AVPR1A (0.47) SIGMAR1AVPR1A
SCHEMBL6392857 0.71 KMT2A (0.60) NPC1KMT2A
SCHEMBL15963350 0.70 ALDH1A1 (0.54) KMT2ASIGMAR1
SCHEMBL8268564 0.69 AVPR1A (0.39) SIGMAR1AVPR1AOXTR

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-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 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 NPC1 1567/4885KMT2A 1303/4885TLR9 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.