SCHEMBL5070441

SCHEMBL5070441

CC1=C(CCO)SCN1CC(=O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
GSK3B P49841 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
PKM P14618 1/20 0.39

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 SCHEMBL3846651 0.99 HTT (0.48) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL5015366 0.83 ALDH1A1 (0.53) ALDH1A1HTTTSHRMEN1KMT2A
Bromide SCHEMBL3846487 0.82 HTT (0.53) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL6766683 0.76 ALDH1A1 (0.38) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL6935010 0.76 RAB9A (0.43) ALDH1A1TSHRMEN1KMT2ANPC1
Bromide SCHEMBL3957516 0.75 RAB9A (0.45) ALDH1A1TSHRMEN1KMT2ANPC1
Bromide SCHEMBL3853734 0.74 CYP3A4 (0.42) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL3849473 0.73 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6103661 0.73 CA12 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
Bromide SCHEMBL7400583 0.73 TSHR (0.33) TSHR

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 11 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
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 disclosed
US-6319934-B1 TREATING STIFFENING OF BLOOD VASCULATURE, ATHEROSCLEROSIS, RETINOPATHY, CATARACTS, PERIPHERAL NEUROPATHY OR OSTEOARTHRITIS IN AN ANIMAL ALTEON, INC. 2001-11-20 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-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds AGER, OGA, PTMS ALDH1A1 1814/4885HTT 165/4885TSHR 690/4885

“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.