SCHEMBL2958622

SCHEMBL2958622

O=C(O)c1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.61
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
LIMK1 P53667 2/20 0.47
IKBKB O14920 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2506707 0.86 LMNA (0.49) MCL1FABP4FABP5PRNPRXFP1
SCHEMBL12922067 0.83 HDAC1 (0.62) MCL1FABP4FABP5PRNPRXFP1
SCHEMBL975593 0.82 LMNA (0.69) MCL1LMNAMAPK1KDM4EALDH1A1
SCHEMBL11625359 0.80 RXFP1 (0.47) MCL1PRNPRXFP1LMNAMAPK1
SCHEMBL14615049 0.80 CYP2C9 (0.44) MCL1PRNPRXFP1CYP2C9CYP2C19
SCHEMBL25217782 0.80 BCKDK (0.61) MCL1RXFP1LMNACYP2C9CYP2C19
SCHEMBL25202699 0.80 MCL1 (0.65) MCL1FABP4FABP5RXFP1LMNA
SCHEMBL69825 0.80 GRIA4 (0.50) MCL1LMNACYP2C9CYP2C19KDM4E
SCHEMBL8338493 0.79 ESR1 (0.60) MCL1LMNAPTPN1MAPTMEN1
SCHEMBL5423456 0.79 ESR1 (0.47) MCL1CYP2C9CYP2C19PTPN1EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025046862-A1 DATA MANAGEMENT PROGRAM, DATA MANAGEMENT SYSTEM, AND DATA MANAGEMENT METHOD 株式会社レゾナック 2025-03-06 WO disclosed
WO-2025046863-A1 DATA STRUCTURE, DATA MANAGEMENT SYSTEM, DATA MANAGEMENT METHOD, AND DATA MANAGEMENT PROGRAM 株式会社レゾナック 2025-03-06 WO disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
CN-107849035-B Phenyl heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-12-10 CN disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
CN-1842621-A Crimped carbon fiber and production method thereof SHOWA DENKO KK (JP) 2006-10-04 CN disclosed
US-20060188717-A1 Crimped carbon fiber and production method thereof SHOWA DENKO K.K. (JP) 2006-08-24 US disclosed
EP-1658397-A1 CRIMPED CARBON FIBER AND PRODUCTION METHOD THEREOF Showa Denko K.K. (JP) 2006-05-24 EP disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 EP disclosed
WO-2005019511-A1 CRIMPED CARBON FIBER AND PRODUCTION METHOD THEREOF SHOWA DENKO K. K. (JP) 2005-03-03 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 (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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A MCL1 3753/4885FABP4 660/4885FABP5 1670/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A MCL1 3753/4885FABP4 660/4885FABP5 1670/4885

“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.