SCHEMBL5609142

SCHEMBL5609142

FC(F)(F)c1ccccc1CC[S]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
DAO P14920 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 2/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLQ O75417 1/20 0.40
GAA P10253 1/20 0.38
NR3C2 P08235 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL17329111 0.86 IDO1 (0.59) IDO1DAOALDH1A1KDM4EATM
SCHEMBL5206144 0.82 IDO1 (0.55) IDO1DAOALDH1A1KDM4EATM
SCHEMBL2089439 0.80 IDO1 (0.53) IDO1DAOALDH1A1KDM4EATM
SCHEMBL2096669 0.79 IDO1 (0.48) IDO1DAOALDH1A1KDM4EATM
SCHEMBL9497600 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL3978648 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL3126891 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL11062283 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL327569 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL2090315 0.78 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM

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 10 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
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 (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 IDO1 2631/4885DAO 168/4885ALDH1A1 28/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 IDO1 2631/4885DAO 168/4885ALDH1A1 28/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 IDO1 4195/4885DAO 4468/4885ALDH1A1 2128/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 IDO1 4195/4885DAO 4468/4885ALDH1A1 2128/4885

“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.