SCHEMBL21856899

SCHEMBL21856899

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 7/20 0.65
▸ RAB9A P51151 2/20 0.60
▸ DHODH Q02127 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.54
▸ SERPINE1 P05121 1/20 0.52
▸ SUCNR1 Q9BXA5 1/20 0.52
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 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
SCHEMBL30268534 0.94 ACLY (0.65) ACLYRAB9ADHODHLMNAHSD17B10
SCHEMBL21857246 0.94 ACLY (0.65) ACLYRAB9ADHODHLMNAHSD17B10
SCHEMBL21857536 0.89 LMNA (0.54) ACLYRAB9ADHODHLMNAHSD17B10
SCHEMBL30268261 0.89 LMNA (0.54) ACLYRAB9ADHODHLMNAHSD17B10
SCHEMBL2270222 0.88 DHODH (0.77) ACLYRAB9ADHODHSERPINE1SUCNR1
SCHEMBL21857505 0.88 ACLY (0.61) ACLYDHODHSERPINE1SUCNR1HDAC1
SCHEMBL2273186 0.85 ACLY (0.68) ACLYRAB9ADHODHSERPINE1SUCNR1
SCHEMBL2275453 0.85 ACLY (0.76) ACLYRAB9ADHODHSERPINE1SUCNR1
SCHEMBL30268470 0.83 ACLY (0.52) ACLYRAB9ADHODHLMNAHSD17B10
SCHEMBL21857609 0.83 ACLY (0.52) ACLYRAB9ADHODHLMNAHSD17B10

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 3 patents. 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
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ACLY 61/4885RAB9A 4602/4885DHODH 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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