SCHEMBL4684669

SCHEMBL4684669

CS(=O)(=O)Oc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.51
DRD1 P21728 4/20 0.46
HTR7 P34969 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 2/20 0.41
LMNA P02545 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL27635813 0.92 PTGS2 (0.52) PTGS2DRD1HTR7TDP1L3MBTL1
SCHEMBL10806869 0.91 PTGS2 (0.50) PTGS2DRD1
SCHEMBL27472703 0.87 PTGS2 (0.51) PTGS2DRD1NCOA1NCOA3ALDH1A1
SCHEMBL11416839 0.83 PTGS2 (0.46) PTGS2DRD1HTR7TDP1L3MBTL1
Iodide SCHEMBL8005565 0.83 ABL1 (0.49) PTGS2DRD1TP53RAB9ASMN1; SMN2
SCHEMBL28257822 0.81 ADRB2 (0.46) PTGS2DRD1HTR7TDP1L3MBTL1
SCHEMBL3839152 0.80 NFE2L2 (0.42) PTGS2L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL19568051 0.80 ELANE (0.55) PTGS2DRD1HTR7TDP1L3MBTL1
SCHEMBL3478225 0.80 TDP1 (0.46) PTGS2HTR7TDP1L3MBTL1MAPK1
SCHEMBL9395043 0.80 CA2 (0.55) PTGS2DRD1HTR7TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
EP-3170221-B1 LIQUID FORMULATIONS, PROCESSES FOR THEIR MANUFACTURE, AND USE OF SUCH LIQUID FORMULATIONS GOTION INC (US) 2019-03-27 EP disclosed
CN-105008378-B The manufacturing method of cross-coupling catalysts and aromatic compound 北兴化学工业株式会社 2018-05-18 CN disclosed
US-20170214097-A1 LIQUID FORMULATIONS, PROCESSES FOR THEIR MANUFACTURE, AND USE OF SUCH LIQUID FORMULATIONS BASF SE (DE) 2017-07-27 US disclosed
US-20170214097-A1 LIQUID FORMULATIONS, PROCESSES FOR THEIR MANUFACTURE, AND USE OF SUCH LIQUID FORMULATIONS BASF SE (DE) 2017-07-27 US disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
WO-2016009052-A1 LIQUID FORMULATIONS, PROCESSES FOR THEIR MANUFACTURE, AND USE OF SUCH LIQUID FORMULATIONS BASF SE (DE) 2016-01-21 WO disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
WO-2005016886-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO., INC. (US) 2005-02-24 WO disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
WO-2000068237-A1 PD- AND NI COMPLEXES OF BIPHENYL-2-YL-PHOSPHANES AND THEIR USE IN CATALYTIC C,C-, C,N- AND C,O-COUPLINGS CLARIANT GMBH (DE) 2000-11-16 WO disclosed
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP disclosed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 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 (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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT PTGS2 3350/4885DRD1 281/4885HTR7 418/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 PTGS2 2783/4885DRD1 99/4885HTR7 1208/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 PTGS2 2726/4885DRD1 442/4885HTR7 677/4885

“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.