SCHEMBL20463142

SCHEMBL20463142

CCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)cnc1-c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.39
BRD4 O60885 1/20 0.38
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
NMT1 P30419 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 2/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PDE4D Q08499 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
SCHEMBL18426398 0.86 PTGS1 (0.35) ACLYBRD4PTGS1PTGS2PIK3C3
SCHEMBL18424605 0.85 GRIN1 (0.38) ALDH1A1KDM4ELMNA
SCHEMBL30772985 0.85 KDM4E (0.35) ACLYBRD4PTGS1PTGS2ALDH1A1
SCHEMBL21895288 0.85 KDM4E (0.35) ACLYBRD4PTGS1PTGS2ALDH1A1
SCHEMBL20463141 0.82 COMT (0.34) ACLYBRD4NMT1PIK3C3KDM4E
SCHEMBL18424534 0.78 HSD17B10 (0.35) BRD4NMT1NPC1RAB9ASMN1; SMN2
SCHEMBL20885624 0.77 ALDH1A1 (0.40) PIK3C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17110770 0.75 MCL1 (0.37) PTGS1PTGS2NPC1RAB9APOLB
SCHEMBL20463127 0.75 MAP4K4 (0.40) PTGS1PTGS2POLBMAPT
SCHEMBL17504813 0.74 ALDH1A1 (0.40) PTGS1PTGS2PIK3C3ALDH1A1KDM4E

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-10512265-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-24 US disclosed
US-20180220652-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-09 US disclosed
US-20180220652-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-09 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-10512265-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 ACLY 1689/4885BRD4 4127/4885PTGS1 402/4885
US-20180220652-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 ACLY 1689/4885BRD4 4127/4885PTGS1 402/4885

“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.