SCHEMBL5609990

SCHEMBL5609990

Fc1cccc(C[S])c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
IDO1 P14902 2/20 0.37
AKR1B1 P15121 1/20 0.37
MPO P05164 1/20 0.35
LMNA P02545 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GAA P10253 1/20 0.33
CXCL8 P10145 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAOB P27338 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL5608928 0.81 TAAR1 (0.41) TAAR1CES2BCHECES1RIPK1
SCHEMBL144863 0.80 IDO1 (0.41) TAAR1CES2BCHECES1RIPK1
SCHEMBL3300692 0.79 MPO (0.47) TAAR1CES2BCHECES1RIPK1
SCHEMBL1145372 0.79
SCHEMBL7052559 0.79 TAAR1 (0.48) TAAR1CES2BCHECES1RIPK1
SCHEMBL17552658 0.77 TAAR1 (0.41) TAAR1CES2BCHECES1RIPK1
SCHEMBL283845 0.77 TAAR1 (0.41) TAAR1CES2BCHECES1RIPK1
SCHEMBL214409 0.77 TAAR1 (0.52) TAAR1CES2BCHECES1RIPK1
SCHEMBL1145818 0.76 MPO (0.38) TAAR1MPOLMNAGPR84
SCHEMBL266645 0.75 RIPK1 (0.49) TAAR1CES2BCHECES1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790158-A Fluoroalkyl reagent of sulfur ylide framework and preparation method and application thereof 中国科学院上海有机化学研究所 2022-07-26 CN disclosed
US-9963451-B2 Fused ring pyrimidine compound and pest control agent containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-08 US disclosed
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2015-12-24 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
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
WO-2003015786-A1 2, 5-SUBSTITUTED 1-(AMINOCARBONYLALKYL) -PYRIMIDIN-4-ONE DERIVATIVES WITH LP-PLA2 INHINITORY ACTIVITY FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-27 WO 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 TAAR1 1266/4885CES2 718/4885BCHE 2197/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885CES2 718/4885BCHE 2197/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CES2 1135/4885BCHE 3541/4885
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME CBR3, HRH2, HRH4 TAAR1 7/4885CES2 4030/4885BCHE 959/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CES2 1135/4885BCHE 3541/4885

“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.