SCHEMBL20610209

SCHEMBL20610209

CCS(=O)(=O)c1cccnc1-c1nc2cc(S)ncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ COMT P21964 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX5AP P20292 3/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SRPK2 P78362 1/20 0.32
▸ SRPK1 Q96SB4 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL20610181 0.87 NPC1 (0.39) NPC1RAB9ACA12CA9COMT
SCHEMBL18401199 0.85 NPC1 (0.43) NPC1RAB9ACA12CA9COMT
SCHEMBL17422537 0.84 PTGS2 (0.40) NPC1RAB9ACA12CA9COMT
SCHEMBL31534727 0.84 PTGS2 (0.40) NPC1RAB9ACA12CA9COMT
SCHEMBL29679797 0.84 PTGS2 (0.40) NPC1RAB9ACA12CA9COMT
SCHEMBL15275086 0.83 NPC1 (0.45) NPC1RAB9ACA12CA9COMT
SCHEMBL20635901 0.82 CYP1A2 (0.36) NPC1RAB9ACA12CA9COMT
SCHEMBL20610201 0.82 NPC1 (0.36) NPC1RAB9ACA12CA9COMT
SCHEMBL20610183 0.81 NPC1 (0.35) NPC1RAB9ACA12CA9COMT
SCHEMBL20610184 0.80 POLB (0.34) ALOX5APCYP11B1CYP11B2CNR2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649128-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2020-05-13 — — EP disclosed
US-20200131177-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-30 — — US disclosed
US-20200131177-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-30 — — US disclosed
WO-2019008115-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-10 — — WO disclosed
WO-2019008115-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-10 — — 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 (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-20200131177-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR NPC1 3664/4885RAB9A 1271/4885CA12 4265/4885

“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.

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