SCHEMBL23644650

SCHEMBL23644650

CCOC(=O)C1(C)CC(c2cc(NC(=O)Oc3ccccc3)c(F)cc2Cl)=NO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ ITGB1 P05556 8/20 0.40
▸ ITGA4 P13612 8/20 0.40
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25368380 0.89 CA1 (0.39) CA1CA2ITGB1ITGA4NPC1
SCHEMBL30370542 0.84 CA1 (0.39) CA1CA2ITGB1ITGA4NPC1
SCHEMBL25061724 0.84 F10 (0.33) ITGB1ITGA4NPC1RAB9ANPSR1
SCHEMBL25061729 0.81 MAPT (0.34) CA1CA2ITGB1ITGA4NPC1
SCHEMBL25061617 0.80 MAPT (0.33) CA1CA2ITGB1ITGA4NPC1
SCHEMBL29055150 0.80 CA1 (0.46) CA1CA2ITGB1ITGA4RAB9A
SCHEMBL25061770 0.80 F10 (0.33) ITGB1ITGA4F10MEN1KMT2A
SCHEMBL24485235 0.79 CA1 (0.42) CA1CA2ITGB1ITGA4F10
SCHEMBL29712909 0.79 CA1 (0.42) CA1CA2ITGB1ITGA4F10
SCHEMBL29055129 0.78 CA1 (0.39) CA1CA2ITGB1ITGA4F10

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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — US disclosed
WO-2021139498-A1 ISOXAZOLINE OXIME CARBOXYLATE COMPOUND, PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 — — 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 CA1 2258/4885CA2 1086/4885ITGB1 4554/4885

“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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