SCHEMBL5246129

SCHEMBL5246129

CC(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
KMT2A Q03164 6/20 0.75
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
MEN1 O00255 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MET P08581 1/20 0.61
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
POLB P06746 3/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
THRB P10828 1/20 0.57

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 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL18711636 0.80 TP53 (0.73) ALDH1A1KMT2AMAPTSMN1; SMN2CYP2C19
SCHEMBL5244644 0.79 KMT2A (0.62) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL2962551 0.79 KMT2A (0.80) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5280035 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL5288013 0.78 KMT2A (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL5246652 0.77 KMT2A (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL4786397 0.77 KMT2A (0.77) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL18711905 0.76 L3MBTL1 (0.64) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL21911363 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD

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 2627/4885KMT2A 1303/4885MAPT 1681/4885

“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.