SCHEMBL17891982

SCHEMBL17891982

CCS(=O)(=O)c1c(C(C)=O)ncc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.37
TRPM8 Q7Z2W7 6/20 0.37
NPC1 O15118 2/20 0.36
MAOA P21397 1/20 0.36
COMT P21964 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28849047 0.87 MAPT (0.38) MAPTTP53SMN1; SMN2THRBTRPM8
SCHEMBL24726391 0.79 MAOA (0.34) MAPTTP53SMN1; SMN2THRBTRPM8
SCHEMBL15782859 0.77 NPC1 (0.43) MAPTTRPM8NPC1MAOATDP1
SCHEMBL17891984 0.73 KMT2A (0.40) NPC1MAOATDP1KDM4EGPR3
SCHEMBL24725971 0.73 GAA (0.46) NPC1RAB9A
SCHEMBL17898588 0.72 NPC1 (0.35) MAPTTRPM8NPC1MAOATDP1
SCHEMBL28592395 0.66 COMT (0.41) MAPTCOMTTDP1KDM4EALDH1A1
SCHEMBL8882478 0.66 FDPS (0.43) MAPTTP53SMN1; SMN2NPC1TDP1
SCHEMBL9278016 0.65 PRKCZ (0.41) TP53SMN1; SMN2COMTMEN1KMT2A
SCHEMBL13310735 0.65 PIN1 (0.43) NPC1MAOAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-02-05 US disclosed
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-02-05 US disclosed
EP-3240788-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 EP disclosed
US-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 US disclosed
US-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 US disclosed
EP-3240788-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-11-08 EP disclosed
WO-2016107742-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-07 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-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, GSTO1 MAPT 574/4885TP53 4487/4885SMN1; SMN2 400/4885
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, GSTO1 MAPT 574/4885TP53 4487/4885SMN1; SMN2 400/4885

“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.