SCHEMBL18179757

SCHEMBL18179757

CCS(=O)(=O)c1sc(C2CC2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CNR2 P34972 6/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ KCNH2 Q12809 2/20 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) RORCCNR2LMNAHTTSMN1; SMN2
SCHEMBL18179708 0.85 RORC (0.33) RORCCYP11B1CYP11B2CNR2MCHR1
SCHEMBL21376155 0.82 — —
SCHEMBL20386958 0.82 CNR2 (0.36) RORCCYP11B1CYP11B2CNR2MCHR1
SCHEMBL18179619 0.81 NPC1 (0.34) RORCCNR2KCNH2
SCHEMBL17514085 0.81 CNR2 (0.34) RORCCYP11B1CYP11B2CNR2MCHR1
SCHEMBL16389588 0.80 SDHB (0.34) RORCCNR2LMNAHTTSMN1; SMN2
SCHEMBL29679692 0.79 CNR2 (0.37) RORCCNR2KCNH2
SCHEMBL17949556 0.79 CNR2 (0.37) RORCCNR2KCNH2
SCHEMBL18179728 0.79 PTGS2 (0.35) RORCLMNAKCNH2

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 RORC 1936/4885LOXL2 3324/4885CYP11B1 70/4885

“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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