SCHEMBL24748938

SCHEMBL24748938

O=C(O)COc1nc(-c2ccc(Cl)cc2F)n(O)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.43
▸ PTGDR2 Q9Y5Y4 8/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL24747756 0.88 TDP1 (0.49) PTGDR2TDP1MAPTTSHRPOLB
SCHEMBL24747544 0.88 KMO (0.41) KMOPTGDR2MAPTFFAR1PPARD
SCHEMBL24747780 0.87 KDM4E (0.39) KMOPTGDR2GRM2POLBCTSA
SCHEMBL24407596 0.87 PTGDR2 (0.47) KMOPTGDR2TDP1TSHRCTSA
SCHEMBL24747546 0.86 ALDH1A1 (0.41) KMOTDP1MAPTTSHRPOLB
SCHEMBL25246711 0.85 PTGDR2 (0.41) KMOPTGDR2TDP1MAPTGRM2
SCHEMBL24747548 0.83 PTGDR2 (0.41) PTGDR2TDP1GRM2HTTSMN1; SMN2
SCHEMBL24750705 0.83 PKM (0.41) PTGDR2FFAR1PPARDCTSA
SCHEMBL24747466 0.83 ALDH1A1 (0.39) MAPTHTTFFAR1PPARD
SCHEMBL30897439 0.80 AKR1B1 (0.42) KMOPTGDR2TDP1

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 KMO 54/4885PTGDR2 2652/4885TDP1 957/4885
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 KMO 52/4885PTGDR2 2458/4885TDP1 561/4885

“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.

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