SCHEMBL23370322

SCHEMBL23370322

Cc1nn(CCCC(F)(F)F)c2c(O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.40
▸ GLS O94925 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL23370327 0.84 ESR1 (0.43) ESR1PTGDR2CNR1CNR2ESR2
SCHEMBL29617914 0.84 ESR1 (0.43) ESR1PTGDR2CNR1CNR2ESR2
SCHEMBL23370317 0.82 HASPIN (0.41) ESR1GLSJAK2JAK1PTGDR2
SCHEMBL24854462 0.81 ESR1 (0.36) ESR1CNR1CNR2PTGS2ESR2
SCHEMBL29907647 0.74 CNR2 (0.49) ESR1LMNACNR1CNR2
SCHEMBL23370440 0.74 CYP1A2 (0.37) ESR1JAK2JAK1PTGDR2PGR
SCHEMBL29907751 0.73 ADORA2A (0.39) ESR1PTGDR2CNR2PGR
SCHEMBL24854151 0.72 KCNMA1 (0.38) —
SCHEMBL23370339 0.72 HTR2A (0.35) JAK2JAK1SCD
SCHEMBL29617936 0.70 CDK9 (0.46) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 — — US disclosed
WO-2021094416-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-05-20 — — 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 (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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES AZI2, PDXK, DPYD ESR1 4145/4885GLS 1141/4885JAK2 256/4885

“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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