SCHEMBL5609905

SCHEMBL5609905

[S]CCc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 3/20 0.52
PNMT P11086 1/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
AOC3 Q16853 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
PKM P14618 1/20 0.48
DAO P14920 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL6740216 0.84 TAAR1 (0.71) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1145808 0.79
SCHEMBL575128 0.77 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1822278 0.77 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL266281 0.75 TAAR1 (1.00) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL320795 0.75 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL7432386 0.75 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL6011614 0.75 IDO1 (0.65) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL838926 0.75 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1046520 0.75 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 EP disclosed
US-4008226-A ANTIBIOTIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-15 US disclosed
US-3962215-A PHOSPHORYLATION, ACYLATION, WATER, ACID CHLORIDE, ALCOHOL AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-08 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 (4 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 TAAR1 1266/4885IDO1 2631/4885PNMT 4186/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885IDO1 2631/4885PNMT 4186/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885IDO1 4195/4885PNMT 4163/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885IDO1 4195/4885PNMT 4163/4885

“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.