SCHEMBL17432175

SCHEMBL17432175

CCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
PTGS1 P23219 4/20 0.39
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HSD11B1 P28845 3/20 0.37
DDR1 Q08345 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
USP1 O94782 1/20 0.36
NR1I2 O75469 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDPK1 O15530 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL21925099 0.92 DDR1 (0.40) DDR1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL17432166 0.91 RORC (0.37) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL17530254 0.88 GRM5 (0.35) PTGS2PTGS1HSD11B1DDR1USP1
SCHEMBL17422648 0.88 PTGS2 (0.38) PTGS2PTGS1NR1H2DDR1CA12
SCHEMBL18926503 0.87 HSD11B1 (0.38) PTGS2HSD11B1CA12CA1CA2
SCHEMBL19366976 0.87 USP1 (0.37) PTGS2PTGS1DDR1CA12CA1
SCHEMBL17494853 0.85 DDR1 (0.38) DDR1
SCHEMBL19439382 0.85 DDR1 (0.38) DDR1USP1KDM4EALDH1A1CYP1A2
SCHEMBL20547541 0.84 CNR2 (0.34) DDR1CA12CA1CA2CA9
SCHEMBL17494868 0.84 DDR1 (0.37) PTGS2PTGS1DDR1CA12CA1

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-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 US disclosed
WO-2016005263-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-14 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 (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-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 PTGS2 713/4885PTGS1 543/4885RXRA 4201/4885
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 PTGS2 744/4885PTGS1 437/4885RXRA 4287/4885

“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.