SCHEMBL632950

SCHEMBL632950

O=C(O)Cc1cccc2sccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
OPRM1 P35372 7/20 0.51
OPRK1 P41145 7/20 0.51
AKR1B1 P15121 1/20 0.46

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
SCHEMBL1282624 0.84 OPRM1 (0.50) OPRM1OPRK1
SCHEMBL7800838 0.84 OPRM1 (0.50) OPRM1OPRK1
SCHEMBL29286910 0.83 OPRM1 (0.47) OPRM1OPRK1
SCHEMBL22495470 0.79 SMN1; SMN2 (0.59) OPRM1OPRK1
SCHEMBL10870122 0.78 OPRM1 (0.51) OPRM1OPRK1
SCHEMBL3798556 0.77 CYP19A1 (0.46) OPRM1OPRK1
SCHEMBL30287240 0.77 CYP2A6 (0.59) OPRM1OPRK1
SCHEMBL3150232 0.77 CYP2A6 (0.59) OPRM1OPRK1
SCHEMBL48683 0.77 POLB (0.46) OPRM1OPRK1
SCHEMBL1233284 0.76 CYP2A6 (0.63) TDP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932325-A Ido inhibitors NEWLINK GENETICS 2010-12-29 CN claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
US-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 US disclosed
CN-104797624-A Functionnalized benzodithiophene polymers for electronic application BASF SE 2015-07-22 CN disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
US-4738981-A ANALGESICS WARNER-LAMBERT (US) 1988-04-19 US disclosed
US-4724237-A GASTROINTESTINAL, CENTRAL NERVOUS, AND APPETITE DISORDERS MERCK & CO., INC. (US) 1988-02-09 US disclosed
US-4656182-A ANALGESICS, DIURETICS, PSYCHOTHERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 1987-04-07 US disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed
EP-0166356-A2 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed
EP-0147085-A2 Substituted trans-1.2-diaminocyclohexyl amide compounds WARNER-LAMBERT COMPANY (US) 1985-07-03 EP disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 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 (3 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-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination STS, SRM, SCLY TDP1 3648/4885OPRM1 376/4885OPRK1 726/4885
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TDP1 3687/4885OPRM1 4863/4885OPRK1 4354/4885
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION STS, SCLY, SRM TDP1 3617/4885OPRM1 379/4885OPRK1 719/4885

“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.