SCHEMBL132889

SCHEMBL132889

[c]1cccc2c1Oc1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
PTGS2 P35354 1/20 0.30
SNCA P37840 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL9979 0.77 ALOX5 (0.30) MAOA
Phenoxathiine SCHEMBL7922 0.76 MAOA (0.42) ATMMEN1CYP1A2BCHEPOLB
Phenoxathiine SCHEMBL29373698 0.76 MAOA (0.42) ATMMEN1CYP1A2BCHEPOLB
Phenoxathiine SCHEMBL29396568 0.76 MAOA (0.42) ATMMEN1CYP1A2BCHEPOLB
SCHEMBL19205828 0.74 AHR (0.41) ATMMEN1CYP1A2BCHEPOLB
SCHEMBL3292005 0.74
Phenoxathiine SCHEMBL5699627 0.74 MAOA (0.40) ATMMEN1CYP1A2BCHEPOLB
Phenoxathiine SCHEMBL10512948 0.74 MAOA (0.40) ATMMEN1CYP1A2BCHEPOLB
Phenoxathiine SCHEMBL5970725 0.74 MAOA (0.40) ATMMEN1CYP1A2BCHEPOLB
SCHEMBL206929 0.73 AHR (0.37) ATMMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP claimed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US claimed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US claimed
WO-2009003952-A2 COLUMN AND METHOD FOR PREPARING A BIOLOGICAL SAMPLE FOR PROTEIN PROFILING PRONOTA N.V. (BE) 2009-01-08 WO claimed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US claimed
US-7432296-B2 Pharmaceutical formulations containing substituted 2-aryl-aminoacetic acid compounds and/or substituted 2-heteroaryl-aminoacetic acid compounds GRUENENTHAL GMBH (DE) 2008-10-07 US claimed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US claimed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US claimed
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 US claimed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP claimed
EP-1596856-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS AND/OR SUBSTITUTED 2-HETEROARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2005-11-23 EP claimed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO claimed
WO-2004071381-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS AND/OR SUBSTITUTED 2-HETEROARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2004-08-26 WO claimed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US claimed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA ATM 2195/4885MEN1 4851/4885CYP1A2 1467/4885
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 ATM 788/4885MEN1 4433/4885CYP1A2 76/4885
US-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ATM 1691/4885MEN1 4853/4885CYP1A2 1383/4885
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ATM 3402/4885MEN1 2517/4885CYP1A2 2740/4885
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 ATM 3868/4885MEN1 2780/4885CYP1A2 1548/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD ATM 1691/4885MEN1 4853/4885CYP1A2 1383/4885

“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.