Sugi Predict

Sugi Predict / Compounds / SCHEMBL24748835

SCHEMBL24748835

SCHEMBL24748835

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ PKM P14618 2/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL26940316 0.87 TLR7 (0.38) LDHAPTGDR2
SCHEMBL24748340 0.87 MALT1 (0.46) PTGDR2PTGER2MALT1FFAR1PPARD
SCHEMBL24747939 0.86 MALT1 (0.42) PTGDR2PKMMALT1FFAR1PPARD
SCHEMBL24747461 0.85 KDM4E (0.39) XPO1MALT1KDM4EALDH1A1TSHR
SCHEMBL24407539 0.85 PKM (0.43) LDHAPTGDR2PKMXPO1PTGER2
SCHEMBL24747911 0.84 XPO1 (0.42) XPO1KDM4EALDH1A1TSHRMEN1
SCHEMBL26940252 0.82 PTGDR2 (0.37) PTGDR2PKMMALT1FFAR1KDM4E
SCHEMBL24747463 0.81 ALOX15 (0.43) PTGDR2MALT1KDM4EALDH1A1MEN1
SCHEMBL24750705 0.79 PKM (0.41) PTGDR2PKMPTGER2FFAR1PPARD
SCHEMBL24747544 0.79 KMO (0.41) PTGDR2PKMFFAR1PPARD

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 LDHA 1144/4885PTGDR2 2652/4885PKM 554/4885
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 LDHA 1299/4885PTGDR2 2458/4885PKM 818/4885

“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.