SCHEMBL30268534

SCHEMBL30268534

O=C(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 7/20 0.65
▸ HSD17B10 Q99714 1/20 0.61
▸ DHODH Q02127 1/20 0.60
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SERPINE1 P05121 1/20 0.52
▸ SUCNR1 Q9BXA5 1/20 0.52
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GRIK1 P39086 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL21857246 1.00 ACLY (0.65) ACLYHSD17B10DHODHRAB9ALMNA
SCHEMBL21856899 0.94 ACLY (0.65) ACLYHSD17B10DHODHRAB9ALMNA
SCHEMBL21857609 0.89 ACLY (0.52) ACLYHSD17B10DHODHRAB9ALMNA
SCHEMBL30268470 0.89 ACLY (0.52) ACLYHSD17B10DHODHRAB9ALMNA
SCHEMBL2270222 0.88 DHODH (0.77) ACLYDHODHRAB9ASERPINE1SUCNR1
SCHEMBL21857505 0.88 ACLY (0.61) ACLYDHODHSERPINE1SUCNR1HDAC1
SCHEMBL2273186 0.85 ACLY (0.68) ACLYDHODHRAB9ASERPINE1SUCNR1
SCHEMBL2275453 0.85 ACLY (0.76) ACLYDHODHRAB9ASERPINE1SUCNR1
SCHEMBL30268261 0.83 LMNA (0.54) ACLYHSD17B10DHODHRAB9ALMNA
SCHEMBL21857536 0.83 LMNA (0.54) ACLYHSD17B10DHODHRAB9ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ACLY 61/4885HSD17B10 1255/4885DHODH 620/4885

“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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