SCHEMBL1016097

SCHEMBL1016097

C[CH]S(=O)(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.40
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD11B1 P28845 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL15437898 0.82 ALDH1A1 (0.43) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL3391401 0.80 RAPGEF4 (0.39) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL11558916 0.77 NFE2L2 (0.49) ALDH1A1TSHRL3MBTL1HSD11B1GAA
SCHEMBL10954580 0.77 ALDH1A1 (0.38) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL5691143 0.77 RAPGEF4 (0.44) ALDH1A1TP53TDP1RAPGEF4KDM4E
SCHEMBL29468592 0.75 ALDH1A1 (0.55) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL4533183 0.75 TSHR (0.47) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL475089 0.75 ALDH1A1 (0.55) ALDH1A1TP53TDP1RAPGEF4TSHR
SCHEMBL10928098 0.75 ALDH1A1 (0.41) ALDH1A1TP53TDP1RAPGEF4KDM4E
SCHEMBL1516201 0.75 RAPGEF4 (0.36) ALDH1A1TP53TDP1RAPGEF4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314059-A Process for preparing cephalosporin compounds SHIBUYA CHISEI 1982-02-02 US claimed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
EP-3642199-A1 BENZOFURANS AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
EP-3642201-A1 ISOINDOLINONE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
EP-3452464-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-03-13 EP disclosed
WO-2018234342-A1 ISOINDOLINONE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 WO disclosed
WO-2018234343-A1 BENZOFURANS AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 WO disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 EP disclosed
EP-3390402-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-10-24 EP disclosed
EP-3380474-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-10-03 EP disclosed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US disclosed
EP-0051824-A2 Improvement in the method for producing 7-aminocephem compounds Takeda Chemical Industries, Ltd. (JP) 1982-05-19 EP disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 US disclosed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 US disclosed
US-3981865-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JA) 1976-09-21 US disclosed