SCHEMBL8713874

SCHEMBL8713874

O=C(S)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.68
CES1 P23141 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
EGFR P00533 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
JAK1 P23458 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTPN1 P18031 1/20 0.57

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
SCHEMBL29613672 0.81 CES2 (0.74) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL31032483 0.81 CES2 (1.00) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL30250451 0.81 CES2 (0.74) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL7220072 0.81 CES2 (1.00) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL941698 0.81 CES2 (0.74) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL196520 0.79 CES2 (0.71) CES2CES1SMN1; SMN2KDM4EHPGD
Beta-Naphtoic Acid SCHEMBL29628843 0.79 CES2 (0.71) CES2CES1SMN1; SMN2KDM4EHPGD
Beta-Naphtoic Acid SCHEMBL98296 0.79 CES2 (0.71) CES2CES1SMN1; SMN2KDM4EHPGD
Beta-Naphtoic Acid SCHEMBL30678321 0.79 CES2 (0.71) CES2CES1SMN1; SMN2KDM4EHPGD
Beta-Naphtoic Acid SCHEMBL30678322 0.79 CES2 (0.71) CES2CES1SMN1; SMN2KDM4EHPGD

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
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20110318554-A1 HYPERBRANCHED POLYMER CONTAINING THIOESTER GROUPS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-29 US disclosed
US-5760042-A INHIBITOR OF PHOSPHODIESTERASES SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5616600-A Griseolic acid compounds and their use as a phosphodiesterase inhibitor SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
US-5556975-A CYCLIC GMP PHOSPHODIESTERASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5532369-A NUCLEOTIDE INHIBITORS OF PHOSPHODIESTERASE SANKYO COMPANY, LIMITED (JP) 1996-07-02 US disclosed
US-5498819-A INHIBITORS OF PHOSPHODIESTERASE AS NEUROTROPIC AGENTS, ANTIINFLAMMATORY AGENTS, MUSCLE RELAXANTS, ANTICARCINOGENIC AGENTS AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0214708-B1 GRISEOLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO COMPANY LIMITED (JP) 1989-12-13 EP disclosed
EP-0319316-A2 Griseolic acid monoesters, their preparation and use SANKYO COMPANY LIMITED (JP) 1989-06-07 EP 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 (1 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CES2 2350/4885CES1 1829/4885SMN1; SMN2 4085/4885

“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.