SCHEMBL24748166

SCHEMBL24748166

COC(=O)COc1nc(-c2cccc(F)c2)n(O)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
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 4/20 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
GABRA5 P31644 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MAPT P10636 1/20 0.37
PDE4B Q07343 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24747457 0.90 ALDH1A1 (0.45) MALT1KDM4EPOLBHPGDHSD17B10
SCHEMBL24750701 0.89 KDM4E (0.48) MALT1KDM4EPOLBALDH1A1LMNA
SCHEMBL23447240 0.88 MALT1 (0.48) MALT1TRPA1KDM4EPOLBHPGD
SCHEMBL24747461 0.88 KDM4E (0.39) MALT1KDM4EPOLBHSD17B10ALDH1A1
SCHEMBL24748340 0.87 MALT1 (0.46) MALT1KDM4ESMN1; SMN2
SCHEMBL24748280 0.86 TSHR (0.49) KDM4EPOLBHPGDALDH1A1FAAH
SCHEMBL24747537 0.86 MALT1 (0.48) MALT1KDM4EPOLBLMNAHTT
SCHEMBL24750700 0.85 ALDH1A1 (0.45) MALT1KDM4EPOLBHPGDHSD17B10
SCHEMBL24748325 0.85 KDM4E (0.45) MALT1KDM4EPOLBHPGDALDH1A1
SCHEMBL26940303 0.84 TLR7 (0.42) KDM4EPOLBALDH1A1MAPT

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 MALT1 3144/4885TRPA1 1865/4885KDM4E 3720/4885
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 MALT1 2854/4885TRPA1 1056/4885KDM4E 2866/4885

“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.