Sugi Predict

Sugi Predict / Compounds / SCHEMBL24747461

SCHEMBL24747461

SCHEMBL24747461

COC(=O)COc1nc(-c2cc(F)cc(F)c2)n(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MALT1 Q9UDY8 2/20 0.36
▸ XPO1 O14980 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL24747911 0.89 XPO1 (0.42) KDM4EPOLBTSHRALDH1A1XPO1
SCHEMBL26940303 0.88 TLR7 (0.42) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL24748166 0.88 MALT1 (0.48) KDM4EPOLBALDH1A1MAPTMALT1
SCHEMBL23448449 0.87 MMP1 (0.40) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL24750700 0.87 ALDH1A1 (0.45) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL24748835 0.85 LDHA (0.39) KDM4ETSHRALDH1A1MALT1XPO1
SCHEMBL26940244 0.83 KDM4E (0.38) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL24748285 0.82 KDM4E (0.45) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL24748325 0.82 KDM4E (0.45) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL26940188 0.81 KDM4E (0.37) KDM4EPOLBTSHRALDH1A1MAPT

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-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-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 — — 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-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 KDM4E 3720/4885POLB 4067/4885TSHR 2877/4885
US-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS CYP4Z1, GSTO1, AADAC KDM4E 2866/4885POLB 4169/4885TSHR 3239/4885

“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.