SCHEMBL21750116

SCHEMBL21750116

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.38
RXRA P19793 1/20 0.35
DHODH Q02127 2/20 0.34
RORC P51449 4/20 0.34
PTGER4 P35408 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL30423857 1.00 EGLN1 (0.38) EGLN1RXRADHODHRORCPTGER4
SCHEMBL29540414 0.92 EGLN1 (0.35) EGLN1RXRARORCPTGER4KDM4E
SCHEMBL21750109 0.91 JAK2 (0.39) EGLN1RORCPTGER4DDR1
SCHEMBL30423852 0.91 JAK2 (0.39) EGLN1RORCPTGER4DDR1
SCHEMBL30424023 0.91 DDR1 (0.35) EGLN1RORCDDR1
SCHEMBL21750126 0.91 DDR1 (0.35) EGLN1RORCDDR1
SCHEMBL21750102 0.90 RORC (0.35) RORCPTGER4KDM4EDDR1
SCHEMBL21750099 0.90 RORC (0.33) EGLN1RORCDDR1
SCHEMBL21750114 0.89 RORC (0.32) EGLN1RORCDDR1
SCHEMBL17514096 0.89 CNR2 (0.32) EGLN1RORCDDR1

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 EGLN1 3702/4885RXRA 4551/4885DHODH 158/4885
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR EGLN1 3702/4885RXRA 4551/4885DHODH 158/4885

“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.