SCHEMBL5609028

SCHEMBL5609028

CC(=O)C(S)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.56
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CYP1A2 P05177 1/20 0.52
ACE P12821 3/20 0.50
CPA3 P15088 1/20 0.50
FOLH1 Q04609 1/20 0.50
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTRB1 P17538 1/20 0.47

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
SCHEMBL498453 0.83 MME (0.65) MMEALPIPKMPTGS1XIAP
SCHEMBL4838500 0.83 MME (0.65) MMEALPIPKMPTGS1XIAP
SCHEMBL3411005 0.81 MME (0.58) MMEALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL7054010 0.81 MME (0.62) MMEALPIPKMPTGS1XIAP
SCHEMBL25432477 0.79 EPHX1 (0.58) MMEALPIPKMPTGS1XIAP
SCHEMBL7054003 0.79 MME (0.56) MMEALPIPKMPTGS1XIAP
SCHEMBL8240623 0.79 EPHX1 (0.58) MMEALPIPKMPTGS1XIAP
SCHEMBL2456064 0.79 MME (0.56) MMEALPIPKMPTGS1XIAP
SCHEMBL11137260 0.79 ALPL (0.56) MMECYP1A2ACECPA3FOLH1
SCHEMBL1896075 0.78 MDM2 (0.61) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136433-B Antiviral compounds with a heterotricyclic moiety LUPIN LTD. (IN) 2016-05-04 CN disclosed
US-8492428-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-07-23 US disclosed
US-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-10-14 US disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (5 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MME 4257/4885ALPI 1550/4885PKM 1619/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MME 4257/4885ALPI 1550/4885PKM 1619/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MME 934/4885ALPI 1530/4885PKM 1125/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MME 934/4885ALPI 1530/4885PKM 1125/4885
US-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, RAC2, BTN3A1 MME 128/4885ALPI 1722/4885PKM 4463/4885

“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.