SCHEMBL5297518

SCHEMBL5297518

CC1(C)CCN(S(=O)(=O)c2ccc(F)c3nonc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 6/20 0.45
PKM P14618 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.37

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
SCHEMBL5286862 0.85 LMNA (0.43) NPC1ALDH1A1PKMPOLBLMNA
SCHEMBL5281210 0.77 AVPR1A (0.46) ALDH1A1PKMPOLBLMNAMAPK1
SCHEMBL8268561 0.74 NPC1 (0.38) NPC1RAB9AALDH1A1PKMPOLB
SCHEMBL11171875 0.71 KMT2A (0.44) NPC1RAB9AALDH1A1PKMPOLB
SCHEMBL5285381 0.70 KMT2A (0.58) NPC1ALDH1A1PKMPOLBLMNA
SCHEMBL2530974 0.70 POLB (0.40) ALDH1A1PKMPOLBLMNAMAPK1
SCHEMBL5244761 0.69 HSD11B1 (0.65)
SCHEMBL4785395 0.69 MAPT (0.55) ALDH1A1POLBLMNAMAPK1KMT2A
SCHEMBL1271332 0.69 TET2 (0.46) ALDH1A1PKMPOLBLMNAMAPK1
SCHEMBL571688 0.69 TET2 (0.46) ALDH1A1PKMPOLBLMNAMAPK1

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 NPC1 1567/4885RAB9A 1823/4885ALDH1A1 2627/4885

“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.