SCHEMBL4497128

SCHEMBL4497128

O=C1OCc2cccc(S)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TYMS P04818 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.43
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
ALOX5 P09917 2/20 0.33
PRF1 P14222 3/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL29838115 1.00 MAOA (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL4455687 0.75 KDM4E (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL855947 0.75 MAOB (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL1611599 0.75 MAOA (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL32672790 0.75 TDP2 (0.50) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL31616856 0.75 KDM4E (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL855553 0.75 MAOA (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL854978 0.75 MAOA (0.47) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL7001855 0.75 MAPT (0.53) MAOAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL26898428 0.75 KDM4E (0.44) MAOAMAOBALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US claimed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP claimed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 WO claimed
CN-112142702-B Synthesis method of 7-mercapto-isobenzofuran-1 (3H) -ketone compound 烟台药物研究所 2022-07-29 CN disclosed
CN-112142702-A Synthesis method of 7-mercapto-isobenzofuran-1 (3H) -ketone compound 烟台药物研究所 2020-12-29 CN disclosed
US-7528266-B2 Chemical intermediates of byproduct-free 7-thio-3H-isobenzofuran-1-one derivatives and herbicidal 7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-3H-isobenzo-furan-1-one SYNGENTA CROP PROTECTION, INC. (US) 2009-05-05 US disclosed
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-05-08 US disclosed
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-04-24 US disclosed
US-7307175-B2 Process for the preparation of 7-substituted 3-alkyl-3H-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-12-11 US disclosed
EP-1390339-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-02-01 EP disclosed
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US disclosed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP disclosed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 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-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, CYP2S1, SULT2A1 MAOA 1923/4885MAOB 1057/4885ALDH1A1 1231/4885
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, C1R, C3AR1 MAOA 574/4885MAOB 441/4885ALDH1A1 3277/4885
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives CBR1, AFF1, ALK MAOA 1976/4885MAOB 1625/4885ALDH1A1 94/4885

“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.