SCHEMBL22201181

SCHEMBL22201181

CCOC(=O)Oc1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ RORC P51449 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ NPSR1 Q6W5P4 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ TLR9 Q9NR96 3/20 0.31
▸ BCL2A1 Q16548 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ BID P55957 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 0.95 RORC (0.34) RORCPOLBCNR2KCNH2
SCHEMBL22189406 0.91 TP53 (0.32) RORCTP53HPGDMAPK1KMT2A
SCHEMBL22189584 0.89 MAPT (0.35) MAPK1HSD17B10CNR2MAPTRAB9A
SCHEMBL22189271 0.89 CNR2 (0.32) CA2RORCPOLBCNR2
SCHEMBL20547522 0.88 GRM2 (0.35) POLBTP53HPGDMAPK1KMT2A
SCHEMBL22189629 0.87 PTGS2 (0.35) NPSR1CNR2RAB9ALMNAKDM4E
SCHEMBL22189261 0.86 CNR2 (0.32) RORCCNR2
SCHEMBL22189256 0.86 CNR2 (0.33) CNR2KCNH2
SCHEMBL20547555 0.86 CNR2 (0.33) CNR2KCNH2
SCHEMBL22189259 0.86 CNR2 (0.35) CNR2KCNH2

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 CA2 945/4885RORC 2525/4885POLB 3966/4885

“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.

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