SCHEMBL21857505

SCHEMBL21857505

Nc1cc(C(=O)O)ccc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 6/20 0.61
▸ HDAC1 Q13547 8/20 0.59
▸ HDAC2 Q92769 7/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ DHODH Q02127 1/20 0.56
▸ SUCNR1 Q9BXA5 1/20 0.49
▸ SERPINE1 P05121 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
SCHEMBL21856899 0.88 ACLY (0.65) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL30268534 0.88 ACLY (0.65) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL21857246 0.88 ACLY (0.65) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL2270222 0.84 DHODH (0.77) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL28646206 0.83 HDAC1 (0.47) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL2273186 0.82 ACLY (0.68) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL2275453 0.82 ACLY (0.76) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL2272605 0.80 DHODH (0.73) ACLYHDAC1HDAC2HDAC3DHODH
SCHEMBL1320352 0.79 ACMSD (0.68) ACLYHDAC1HDAC2DHODH
SCHEMBL2275720 0.79 SUCNR1 (0.73) ACLYHDAC1HDAC2HDAC3DHODH

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 5 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
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
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 61/4885HDAC1 826/4885HDAC2 345/4885

“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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