SCHEMBL23447240

SCHEMBL23447240

COC(=O)COc1nc(-c2cccc(F)c2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.48
TRPA1 O75762 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CSNK1D P48730 1/20 0.39
FAAH O00519 1/20 0.38
PRNP P04156 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL23447249 0.90 ALDH1A1 (0.45) MALT1KDM4EPOLBHSD17B10HPGD
SCHEMBL24407590 0.89 KDM4E (0.48) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24748166 0.88 MALT1 (0.48) MALT1TRPA1MMP1MMP9MMP8
SCHEMBL25972455 0.88 MALT1 (0.45) MALT1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL24407442 0.88 MALT1 (0.47) MALT1
SCHEMBL23448449 0.88 MMP1 (0.40) MALT1MMP1MMP9MMP8KDM4E
SCHEMBL24407467 0.86 TSHR (0.49) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24407585 0.86 MALT1 (0.48) MALT1MMP1MMP9MMP8KDM4E
SCHEMBL24407583 0.85 ALDH1A1 (0.45) MALT1MMP1MMP9MMP8KDM4E
SCHEMBL24407445 0.85 MMP1 (0.46) MALT1MMP1MMP9MMP8KDM4E

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
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP 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
WO-2021105101-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) 2021-06-03 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 MALT1 3144/4885TRPA1 1865/4885MMP1 3101/4885

“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.