SCHEMBL18179619

SCHEMBL18179619

CCS(=O)(=O)c1sc(-c2ncccn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ SDHB P21912 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ RORC P51449 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
SCHEMBL18173833 0.85 S1PR1 (0.33) NPC1RAB9ACA12CA9PTGS2
SCHEMBL18179544 0.85 NPC1 (0.34) NPC1RAB9ACA12CA9CYP19A1
SCHEMBL18179728 0.84 PTGS2 (0.35) CA12CA9PTGS2SDHBKCNH2
SCHEMBL18179614 0.82 CYP19A1 (0.33) CYP19A1
SCHEMBL18179757 0.81 RORC (0.33) CNR2KCNH2RORC
SCHEMBL21376154 0.80 CYP19A1 (0.32) NPC1RAB9ACYP19A1
SCHEMBL16389588 0.80 SDHB (0.34) NPC1RAB9ACA12CA9SDHB
SCHEMBL19366917 0.80 NPC1 (0.35) NPC1RAB9ACA12CA9PTGS2
SCHEMBL31534727 0.79 PTGS2 (0.40) NPC1RAB9ACA12CA9PTGS2
SCHEMBL17422537 0.79 PTGS2 (0.40) NPC1RAB9ACA12CA9PTGS2

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-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 — — 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR NPC1 4024/4885RAB9A 1236/4885CA12 4129/4885

“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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