Sugi Predict

Sugi Predict / Compounds / SCHEMBL24407471

SCHEMBL24407471

SCHEMBL24407471

COC(=O)COc1nc(-c2ccc(F)cc2F)n(-c2ccc(F)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ KCNN4 O15554 1/20 0.37
▸ P2RX7 Q99572 4/20 0.36
▸ CXCR1 P25024 2/20 0.35
▸ CXCR2 P25025 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MALT1 Q9UDY8 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL29655506 1.00 CNR1 (0.38) CNR1CNR2ALPLKCNN4P2RX7
SCHEMBL24407576 0.89 LPAR2 (0.37) CNR1CNR2GRM5MAPK14ALDH1A1
SCHEMBL31392413 0.89 LPAR2 (0.37) CNR1CNR2GRM5MAPK14ALDH1A1
SCHEMBL23447081 0.83 MALT1 (0.44) CNR1P2RX7MALT1ALDH1A1LMNA
SCHEMBL29635052 0.83 MALT1 (0.44) CNR1P2RX7MALT1ALDH1A1LMNA
SCHEMBL24407448 0.83 ALPL (0.41) ALPLKCNN4P2RX7MAPTNPC1
SCHEMBL24750703 0.83 ALPL (0.41) ALPLKCNN4P2RX7CXCR1CXCR2
SCHEMBL31390542 0.81 KCNN4 (0.39) CNR1CNR2ALPLKCNN4P2RX7
SCHEMBL30504668 0.81 CNR1 (0.41) CNR1CNR2KCNN4P2RX7MAPT
SCHEMBL30504677 0.81 CNR1 (0.41) CNR1CNR2KCNN4P2RX7MAPT

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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed
US-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed
CN-116568136-A [ (5-phenyl-1-heteroaryl-1H-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-08-08 — — CN disclosed
WO-2022096442-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — 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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, PDK3, HACL2 CNR1 1501/4885CNR2 1529/4885ALPL 501/4885

“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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