SCHEMBL20610201

SCHEMBL20610201

CCS(=O)(=O)c1cccnc1-c1nc2cc([S+]([O-])C(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ COMT P21964 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ GAA P10253 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
SCHEMBL20635900 0.83 RORC (0.33) —
SCHEMBL20635348 0.83 NPC1 (0.32) NPC1RAB9ACA12CA9KDM4E
SCHEMBL20610209 0.82 NPC1 (0.39) NPC1RAB9ACA12CA9COMT
SCHEMBL20610208 0.82 — —
SCHEMBL20635901 0.82 CYP1A2 (0.36) NPC1RAB9ACA12CA9COMT
SCHEMBL20635933 0.81 — —
SCHEMBL20610183 0.81 NPC1 (0.35) NPC1RAB9ACA12CA9COMT
SCHEMBL20610181 0.80 NPC1 (0.39) NPC1RAB9ACA12CA9COMT
SCHEMBL17422537 0.79 PTGS2 (0.40) NPC1RAB9ACA12CA9COMT
SCHEMBL31534727 0.79 PTGS2 (0.40) NPC1RAB9ACA12CA9COMT

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.

Send feedback