SCHEMBL22189406

SCHEMBL22189406

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BCL2A1 Q16548 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RORC P51449 3/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL22189405 0.94 RORC (0.34) CNR2EGLN1RORCDDR1SCN9A
SCHEMBL22201181 0.91 CA2 (0.34) TP53HPGDMAPK1KMT2ANPSR1
SCHEMBL22189271 0.90 CNR2 (0.32) CNR2RORCSCN9A
SCHEMBL22189639 0.89 PTGDR2 (0.37) CNR2EGLN1RORC
SCHEMBL22189625 0.89 CNR2 (0.33) CNR2EGLN1LMNASMN1; SMN2
SCHEMBL22189584 0.89 MAPT (0.35) MAPK1HSD17B10CNR2MAPTRAB9A
SCHEMBL22189629 0.89 PTGS2 (0.35) NPSR1CNR2RAB9ALMNAS1PR1
SCHEMBL22189261 0.88 CNR2 (0.32) CNR2RORCDDR1
SCHEMBL22189256 0.88 CNR2 (0.33) CNR2
SCHEMBL22189295 0.88 CNR2 (0.33) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — 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 (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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR TP53 4342/4885HPGD 1181/4885MAPK1 858/4885

“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.

Send feedback