SCHEMBL5071124

SCHEMBL5071124

CC1=C(C)N(CC(=O)c2sc3ccccc3c2C)CS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LIMK1 P53667 2/20 0.37
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCL1 Q07820 1/20 0.35
IKBKB O14920 1/20 0.35

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
Bromide SCHEMBL3844285 0.99 HSD11B1 (0.48) HSD11B1PRNPRXFP1LIMK1MAOB
Bromide SCHEMBL3853948 0.78 HSD11B1 (0.42) HSD11B1PRNPRXFP1LIMK1ALDH1A1
SCHEMBL6766615 0.76 SLC9A1 (0.46) ALDH1A1MAPT
SCHEMBL1820216 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2099000 0.75 HSD11B1 (0.61) HSD11B1PRNPRXFP1LIMK1MAOB
SCHEMBL23535424 0.74 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL13963145 0.73 HSD11B1 (0.62) HSD11B1PRNPRXFP1LIMK1MAOB
SCHEMBL4834908 0.73 HSD11B1 (0.62) HSD11B1PRNPRXFP1LIMK1MAOB
SCHEMBL4775261 0.72 HSD11B1 (0.61) HSD11B1PRNPRXFP1LIMK1MAOB
SCHEMBL14380707 0.72 HSD11B1 (0.61) HSD11B1PRNPRXFP1LIMK1MAOB

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-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP claimed
US-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed
EP-1128830-A4 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON INC (US) 2004-03-31 EP claimed
US-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds SYNVISTA THERAPEUTICS, INC. 2003-09-18 US claimed
JP-2002529414-A 2002-09-10 JP claimed
US-6319934-B1 TREATING STIFFENING OF BLOOD VASCULATURE, ATHEROSCLEROSIS, RETINOPATHY, CATARACTS, PERIPHERAL NEUROPATHY OR OSTEOARTHRITIS IN AN ANIMAL ALTEON, INC. 2001-11-20 US claimed
EP-1128830-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS Alteon, Inc. (US) 2001-09-05 EP claimed
US-6121300-A IN A TOPICAL COSMETIC AS SKIN ELASTICITY IMPROVER OR WRINKLE REDUCER; COMPOUNDS SUCH AS 3-(2-(3-PHENYL-5-ISOXAZOLYL)-2-OXOETHYL)-THIAZOLIUM; ADMINSISTERING TO TREAT CATARACTS, PROTEIN AGING AND DIABETES SYNVISTA THERAPEUTICS, INC. 2000-09-19 US claimed
WO-2000027395-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON, INC. (US) 2000-05-18 WO claimed

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-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds AGER, OGA, PTMS HSD11B1 4477/4885PRNP 1469/4885RXFP1 2153/4885

“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.