SCHEMBL6535191

SCHEMBL6535191

CC1=C(CO)SCN1CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GRIN2B Q13224 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
BLM P54132 1/20 0.37
MAPK1 P28482 2/20 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
Hydrochloric Acid SCHEMBL3846709 0.99 RAB9A (0.43) ALDH1A1GSK3BGSK3ARAB9AMAPT
SCHEMBL6937918 0.89 ALDH1A1 (0.41) ALDH1A1GSK3BGSK3ARAB9AMAPT
Bromide SCHEMBL2947505 0.88 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9AMAPT
SCHEMBL1820216 0.84 ALDH1A1 (0.46) ALDH1A1GSK3BGSK3ARAB9AMAPT
SCHEMBL6535060 0.83 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9AMAPT
Hydrochloric Acid SCHEMBL33828 0.82 RAB9A (0.46) ALDH1A1GSK3BGSK3ARAB9AMAPT
Bromide SCHEMBL2954276 0.82 ALDH1A1 (0.48) ALDH1A1GSK3BGSK3ARAB9AMAPT
SCHEMBL4249685 0.78 ALDH1A1 (0.41) ALDH1A1GSK3BGSK3ARAB9AMAPT
Bromide SCHEMBL3847798 0.77 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9AMAPT
Bromide SCHEMBL5924553 0.76 ALDH1A1 (0.45) ALDH1A1GSK3BGSK3ARAB9AMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP claimed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP claimed
US-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-05-09 US claimed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO claimed
EP-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP disclosed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP disclosed
US-6458819-B1 INHIBITION OF FORMATION OF ADVANCED GLYCOSYLATION OF PROTEINS AND TO BREAKING THE CROSS-LINKS THAT FORM BETWEEN ADVANCED GLYCOSYLATION ENDPRODUCTS OR BETWEEN AGES AND OTHER PROTEINS. ALTEON, INC. 2002-10-01 US disclosed
US-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO 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-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging TTR, RBP4, COL2A1 ALDH1A1 2756/4885GSK3B 1199/4885GSK3A 1127/4885

“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.