SCHEMBL17832756

SCHEMBL17832756

CCS(=O)(=O)c1cc(NC(=O)C(F)(F)F)c(Br)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ RORC P51449 12/20 0.32
▸ CTPS1 P17812 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DDR1 Q08345 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL17832757 0.90 KCNH2 (0.34) MAPTRORCDDR1CNR2IRAK4
SCHEMBL20633529 0.88 LRRK2 (0.35) RORCCNR2
SCHEMBL29814294 0.88 LRRK2 (0.35) RORCCNR2
SCHEMBL22683346 0.87 RORC (0.36) RORCCTPS1SMN1; SMN2CNR2
SCHEMBL17824423 0.84 MAPT (0.32) MAPTRORCCTPS1IRAK4
SCHEMBL21869851 0.84 CTPS1 (0.35) MAPTRORCCTPS1DDR1CNR2
SCHEMBL17832754 0.83 KCNH2 (0.35) CNR2
SCHEMBL22683330 0.81 CNR1 (0.36) MAPTRORCCNR2
SCHEMBL30958305 0.81 CNR1 (0.36) MAPTRORCCNR2
SCHEMBL19366937 0.81 SLC40A1 (0.36) MAPTRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 — — US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 — — US disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 — — 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-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE MAPT 407/4885RORC 1490/4885CTPS1 873/4885

“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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