Sugi Predict

Sugi Predict / Compounds / SCHEMBL24747463

SCHEMBL24747463

SCHEMBL24747463

O=C(O)COc1nc(-c2ccccc2)n(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MALT1 Q9UDY8 2/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ACACA Q13085 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39

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
SCHEMBL24747898 0.88 MALT1 (0.42) ALDH1A1KDM4EPTGDR2MEN1KMT2A
SCHEMBL24747532 0.88 PTGDR2 (0.46) ALDH1A1KDM4EPTGDR2LMNAFABP4
SCHEMBL24747939 0.87 MALT1 (0.42) ALDH1A1PTGDR2MEN1KMT2ALMNA
SCHEMBL24750691 0.87 POLB (0.47) ALDH1A1HTTPTGDR2SMN1; SMN2MALT1
SCHEMBL26940109 0.86 PTPN1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24748325 0.86 KDM4E (0.45) ALDH1A1KDM4EHTTSMN1; SMN2MEN1
SCHEMBL24747535 0.85 MALT1 (0.46) KDM4EHTTPTGDR2SMN1; SMN2MEN1
SCHEMBL24748340 0.85 MALT1 (0.46) KDM4EPTGDR2SMN1; SMN2MALT1
SCHEMBL24748185 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMALT1PPARA
SCHEMBL24747871 0.85 TSHR (0.51) ALDH1A1KDM4EHTTSMN1; SMN2MEN1

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 ALOX15 504/4885ALDH1A1 83/4885KDM4E 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 ALOX15 449/4885ALDH1A1 36/4885KDM4E 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.