SCHEMBL229977

SCHEMBL229977

[C]1c2ccccc2Sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
NOX1 Q9Y5S8 5/20 0.42
ACHE P22303 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
MAOA P21397 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
PTGS2 P35354 1/20 0.42
SNCA P37840 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL2748529 0.81 BCHE (0.53) BCHENOX1ACHEMAPTCYP1A2
SCHEMBL28182359 0.77
SCHEMBL2749062 0.77 CYBB (0.53) NOX1GAAMAPTMEN1CYP1A2
SCHEMBL25643861 0.73 BCHE (0.56) BCHENOX1ACHEGAAMAPT
SCHEMBL21629348 0.73 BCHE (0.56) BCHENOX1ACHEGAAMAPT
Thianthrene SCHEMBL7786 0.73 BCHE (0.56) BCHENOX1ACHEGAAMAPT
SCHEMBL30823 0.73
Thianthrene SCHEMBL29392368 0.73 BCHE (0.56) BCHENOX1ACHEGAAMAPT
SCHEMBL205284 0.73
SCHEMBL8776016 0.73 CYP2A6 (0.36) ACHEMAPTPOLBCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP claimed
EP-4399199-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Reuter Chemische Apparatebau e.K. (DE) 2024-07-17 EP claimed
WO-2023036868-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-03-16 WO claimed
WO-2023038156-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-03-16 WO claimed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US claimed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
US-7754719-B2 Substituted piperidine derivatives as somatostatin SST1 receptor antagonists NOVARTIS AG (CH) 2010-07-13 US claimed
EP-1909792-B1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SOMATOSTATIN SST1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-09-02 EP claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
EP-1569899-B1 SUBSTITUTED 3-ALKYL- AND 3-ARYLALKYL-1H-INDOL-1-YL-ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2006-06-28 EP claimed
JP-2006514640-A 2006-05-11 JP claimed
EP-1569899-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL i 1H /i -INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
WO-2004052853-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO claimed
US-20040116488-A1 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 US claimed
US-4877779-A CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME MARION LABORATORIES, INC. (US) 1989-10-31 US claimed
EP-0109299-A2 1,1-Disubstituted-2-heterocyclic ethanol derivatives ELI LILLY AND COMPANY (US) 1984-05-23 EP 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 (2 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 BCHE 2702/4885NOX1 2200/4885ACHE 1043/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 BCHE 68/4885NOX1 3042/4885ACHE 8/4885

“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.