SCHEMBL255966

SCHEMBL255966

O=S1(=O)CS(=O)(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
PLCG1 P19174 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KEAP1 Q14145 1/20 0.34

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
SCHEMBL255968 0.81 GPR3 (0.46) GPR3PLCG1KMT2AMEN1NOX1
SCHEMBL3172256 0.71 GPR3 (0.37) GPR3PLCG1KMT2AMEN1NOX1
SCHEMBL3280918 0.69 GPR3 (0.71) GPR3KMT2AMEN1NOX1CA2
SCHEMBL30951022 0.69 GPR3 (0.71) GPR3KMT2AMEN1NOX1CA2
SCHEMBL88079 0.69
Water SCHEMBL19583248 0.67 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA2
Hydrogen Sulfide SCHEMBL28288327 0.67 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA2
SCHEMBL27541985 0.67 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA2
Methane SCHEMBL28249298 0.67 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA2
SCHEMBL61667 0.66 CA1 (0.47) GPR3PLCG1KMT2AMEN1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US claimed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US claimed
WO-2024126453-A1 NEW SUBSTITUTED INDOLE-2-CARBOXAMIDES AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-20 WO disclosed
WO-2023073641-A9 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-02-29 WO disclosed
US-20230374021-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed
WO-2011117382-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
WO-2011106414-A1 INHIBITORS OF BETA-SECRETASE DILLARD LAWRENCE W (US) 2011-09-01 WO disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND FUJIFILM CORPORATION (JP) 2009-09-03 US disclosed
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND FUJIFILM CORPORATION (JP) 2009-09-03 US disclosed
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND FUJIFILM CORPORATION (JP) 2009-09-03 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 (7 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 GPR3 1648/4885PLCG1 3652/4885KMT2A 2324/4885
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, F3 GPR3 157/4885PLCG1 844/4885KMT2A 3780/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 GPR3 2555/4885PLCG1 829/4885KMT2A 2989/4885
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND CRY2, DOT1L, TRMT1 GPR3 3134/4885PLCG1 3954/4885KMT2A 82/4885
US-20230374021-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 GPR3 307/4885PLCG1 253/4885KMT2A 1430/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 GPR3 157/4885PLCG1 844/4885KMT2A 3780/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 GPR3 3760/4885PLCG1 2680/4885KMT2A 3543/4885

“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.