SCHEMBL23416846

SCHEMBL23416846

CC(=O)Nc1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ CA2 P00918 6/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ PDGFRB P09619 4/20 0.38
▸ KDR P35968 4/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 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
SCHEMBL18230130 0.91 PDGFRB (0.43) GAAPKMALOX15HSD17B10LPL
SCHEMBL18230238 0.81 PDGFRB (0.46) LPLLIPGCA2CA1CA9
SCHEMBL799198 0.79 DYRK1A (0.59) GAA
SCHEMBL14249475 0.77 HDAC1 (0.49) LPLLIPGCA2CA1CA9
SCHEMBL18230246 0.76 DYRK1A (0.59) —
SCHEMBL18230226 0.75 PRMT5 (0.45) PDGFRBKDRHIF1A
SCHEMBL1284301 0.75 HIF1A (0.47) LPLLIPGCA2CA1CA9
SCHEMBL20596969 0.74 LMNA (0.48) LPLLIPGCA2CA1CA9
SCHEMBL26963138 0.74 DYRK1A (0.55) GAAPKMALOX15HSD17B10CA2
SCHEMBL30622997 0.73 LPL (0.45) LPLLIPGCA2CA1CA9

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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 — — US disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 — — 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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP GAA 10/4885PKM 2210/4885ALOX15 48/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP GAA 10/4885PKM 2210/4885ALOX15 48/4885

“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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