SCHEMBL5281210

SCHEMBL5281210

O=S(=O)(c1ccc(F)c2nonc12)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42

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 0.88 AVPR1A (0.43) AVPR1ALMNA
SCHEMBL5291615 0.80 AVPR1A (0.39) AVPR1A
SCHEMBL5297518 0.77 NPC1 (0.45) ALDH1A1LMNAPOLBPKMMAPK1
SCHEMBL5280469 0.76 NPC1 (0.47) AVPR1A
SCHEMBL8268561 0.76 NPC1 (0.38) ALDH1A1LMNAPOLBPKMMAPK1
SCHEMBL6392857 0.76 KMT2A (0.60) ALDH1A1LMNAPOLBPKMMAPK1
SCHEMBL19608944 0.75 ALDH1A1 (0.58) ALDH1A1POLBMAPK1
SCHEMBL5343964 0.72 AVPR1A (0.47) AVPR1A
SCHEMBL15963350 0.71 ALDH1A1 (0.54) ALDH1A1POLBMAPK1
SCHEMBL6391675 0.70 NPY5R (0.50) AVPR1A

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 AVPR1A 4872/4885ALDH1A1 2627/4885LMNA 3860/4885

“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.