SCHEMBL21750102

SCHEMBL21750102

CCS(=O)(=O)c1cc(C(=O)OC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.35
KDM4E B2RXH2 1/20 0.34
DDR1 Q08345 1/20 0.34
PTGER4 P35408 3/20 0.33
LRRK2 Q5S007 1/20 0.33
SDHB P21912 1/20 0.33
KIF11 P52732 1/20 0.32
CNR2 P34972 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL21750116 0.90 EGLN1 (0.38) RORCKDM4EDDR1PTGER4
SCHEMBL30423857 0.90 EGLN1 (0.38) RORCKDM4EDDR1PTGER4
SCHEMBL30423852 0.89 JAK2 (0.39) RORCDDR1PTGER4CNR2
SCHEMBL21750126 0.89 DDR1 (0.35) RORCDDR1CNR2
SCHEMBL21750109 0.89 JAK2 (0.39) RORCDDR1PTGER4CNR2
SCHEMBL30424023 0.89 DDR1 (0.35) RORCDDR1CNR2
SCHEMBL21750099 0.87 RORC (0.33) RORCDDR1CNR2
SCHEMBL21750114 0.86 RORC (0.32) RORCDDR1
SCHEMBL17514096 0.86 CNR2 (0.32) RORCDDR1LRRK2CNR2NPC1
SCHEMBL21761671 0.85 EGLN1 (0.32) RORCDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 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 (2 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-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR RORC 1986/4885KDM4E 3259/4885DDR1 4585/4885
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR RORC 1986/4885KDM4E 3259/4885DDR1 4585/4885

“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.