SCHEMBL20047393

SCHEMBL20047393

CCS(=O)(=O)c1cc(C)sc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RORC P51449 3/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ SDHB P21912 1/20 0.30
▸ USP1 O94782 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL18179707 0.92 CNR2 (0.33) CNR2NPC1RAB9ALMNAHTT
SCHEMBL18173853 0.90 CNR2 (0.32) CNR2NPC1RAB9ALMNAHTT
SCHEMBL20047438 0.85 CNR2 (0.30) CNR2
SCHEMBL18179703 0.85 RORC (0.36) S1PR1KCNH2RORCCA12CA1
SCHEMBL18179617 0.84 PRMT6 (0.34) CNR2KCNH2RORC
SCHEMBL18179714 0.84 PTGS1 (0.35) KCNH2CA12CA1CA2CA9
SCHEMBL21949322 0.83 KCNH2 (0.32) S1PR1KCNH2RORC
SCHEMBL16389595 0.82 CNR2 (0.31) CNR2NPC1RAB9ALMNAHTT
SCHEMBL18173816 0.82 S1PR1 (0.33) CNR2NPC1RAB9ALMNAHTT
SCHEMBL18179633 0.81 SDHB (0.32) CNR2NPC1RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US 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 CNR2 1234/4885NPC1 4024/4885RAB9A 1236/4885

“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