SCHEMBL1230588

SCHEMBL1230588

C=CCc1ccsc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 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
SCHEMBL7366283 0.75 CYP2A6 (0.33)
SCHEMBL5455704 0.74
SCHEMBL15056035 0.73 GABRA1 (0.33) GABRA1GABRB2ALOX5PTGS1PTGS2
SCHEMBL4591842 0.73 GABRA1 (0.38) GABRA1GABRB2ALOX5PTGS1PTGS2
SCHEMBL1383883 0.72 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL1164626 0.71 GABRA1 (0.36) GABRA1GABRB2ALOX5PTGS1PTGS2
SCHEMBL13572315 0.69
SCHEMBL2882496 0.69
SCHEMBL6036916 0.69
SCHEMBL4677442 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217824-B2 Process for preparing a 4,7-bis(5-halothien-2-yl)-2,1,3-benzothiadiazole and a precursor therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US claimed
US-20040229925-A1 Process for preparing a 4,7-bis(5-halothien-2-yl)-2,1,3-benzothiadiazole and a precursor therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-18 US claimed
WO-2014074027-A1 POLYMERS AND THEIR USE IN PHOTOVOLTAIC DEVICES LANXESS DEUTSCHLAND GMBH (DE) 2014-05-15 WO disclosed
WO-2014074028-A2 POLYMERS AND THEIR USE IN PHOTOVOLTAIC DEVICES INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS RAS (RU) 2014-05-15 WO disclosed
EP-2730633-A1 Polymer compound and its use in photovoltaic devices LANXESS Deutschland GmbH (DE) 2014-05-14 EP disclosed
EP-2730632-A1 Polymer compound and its use in photovoltaic devices LANXESS Deutschland GmbH (DE) 2014-05-14 EP disclosed
EP-2730600-A1 Conjugated polymer compound comprising 1,2,3-Benzothiadiazole units and its use in photovoltaic devices LANXESS Deutschland GmbH (DE) 2014-05-14 EP disclosed
US-8558108-B2 Electron donating material, material for photovoltaic devices and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2013-10-15 US disclosed
EP-2266982-B1 ELECTRON DONATING ORGANIC MATERIAL, MATERIAL FOR PHOTOVOLTAIC ELEMENT, AND PHOTOVOLTAIC ELEMENT TORAY INDUSTRIES (JP) 2013-09-04 EP disclosed
US-20110023964-A1 ELECTRON DONATING MATERIAL, MATERIAL FOR PHOTOVOLTAIC DEVICES AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2011-02-03 US disclosed
EP-2266982-A1 ELECTRON DONATING ORGANIC MATERIAL, MATERIAL FOR PHOTOVOLTAIC ELEMENT, AND PHOTOVOLTAIC ELEMENT Toray Industries, Inc. (JP) 2010-12-29 EP disclosed
WO-1994002530-A1 NOVEL PROCESSABLE THIOPHENE BASED POLYMERS AND COPOLYMERS AND THERMALLY STABLE ELECTRICALLY CONDUCTING COMPOSITIONS THEREOF NESTE OY (FI) 1994-02-03 WO 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 (1 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-20040229925-A1 Process for preparing a 4,7-bis(5-halothien-2-yl)-2,1,3-benzothiadiazole and a precursor therefor WEE2, WEE1, NOTUM GABRA1 53/4885GABRB2 176/4885ALOX5 222/4885

“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.