SCHEMBL5609972

SCHEMBL5609972

CS(=O)(=O)CCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.63
CA2 P00918 1/20 0.49
MTNR1A P48039 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ACP3 P15309 1/20 0.44
KEAP1 Q14145 1/20 0.44
SLC18A2 Q05940 1/20 0.43
DAO P14920 1/20 0.43

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
SCHEMBL5609654 0.88 NQO2 (0.58) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL18272621 0.84 NQO2 (0.57) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL13911250 0.84 NQO2 (0.57) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL497025 0.81 NQO2 (0.54) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL31300446 0.81 NQO2 (0.54) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL5513121 0.81 CA2 (0.57) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL65445 0.81 NQO2 (0.54) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL6511791 0.81 NQO2 (0.54) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL31078221 0.81 NQO2 (0.54) NQO2CA2MTNR1ACYP1A2CYP2C19
SCHEMBL3245793 0.81 NQO2 (0.57) NQO2CA2MTNR1ACYP1A2CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559890-A1 STABILIZED METHOD FOR 18F-LABELING Trasis S.A. (BE) 2025-05-28 EP disclosed
US-9856182-B2 Radiofluorination method TECHNICAL UNIVERSITY OF DENMARK (DK) 2018-01-02 US disclosed
EP-2880005-B1 RADIOFLUORINATION METHOD UNIV DENMARK TECH DTU (DK) 2016-05-25 EP disclosed
US-20150299066-A1 RADIOFLUORINATION METHOD TECHNICAL UNIVERSITY OF DENMARK (DK) 2015-10-22 US disclosed
EP-2880005-A1 RADIOFLUORINATION METHOD Technical University of Denmark (DK) 2015-06-10 EP disclosed
US-20140086936-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-03-27 US disclosed
WO-2014020035-A1 RADIOFLUORINATION METHOD TECHNICAL UNIVERSITY OF DENMARK (DK) 2014-02-06 WO disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 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-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 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-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US 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 (8 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 NQO2 876/4885CA2 217/4885MTNR1A 886/4885
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 NQO2 335/4885CA2 921/4885MTNR1A 967/4885
US-20150299066-A1 RADIOFLUORINATION METHOD PFAS, PHOSPHO1, ARFGEF1 NQO2 2875/4885CA2 3009/4885MTNR1A 4878/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NQO2 876/4885CA2 217/4885MTNR1A 886/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NQO2 3001/4885CA2 1808/4885MTNR1A 898/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NQO2 3001/4885CA2 1808/4885MTNR1A 898/4885
US-20140086936-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 NQO2 4090/4885CA2 2453/4885MTNR1A 709/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 NQO2 2141/4885CA2 515/4885MTNR1A 462/4885

“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.