SCHEMBL21857609

SCHEMBL21857609

O=C(O)c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HDAC2 Q92769 1/20 0.50
▸ BCL2L1 Q07817 1/20 0.50
▸ BAD Q92934 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ PTPN1 P18031 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ PRSS12 P56730 1/20 0.44
▸ KCNK2 O95069 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ PYGL P06737 1/20 0.43
▸ WDR5 P61964 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL30268470 1.00 ACLY (0.52) ACLYHSD17B10HDAC2BCL2L1BAD
SCHEMBL21857536 0.95 LMNA (0.54) ACLYHSD17B10HDAC2BCL2L1BAD
SCHEMBL30268261 0.95 LMNA (0.54) ACLYHSD17B10HDAC2BCL2L1BAD
SCHEMBL21953488 0.90 CYP1A2 (0.52) ACLYHSD17B10HDAC2BCL2L1BAD
SCHEMBL21857246 0.89 ACLY (0.65) ACLYHSD17B10HDAC2LMNARAB9A
SCHEMBL30268534 0.89 ACLY (0.65) ACLYHSD17B10HDAC2LMNARAB9A
SCHEMBL21857625 0.85 RAB9A (0.57) ACLYHSD17B10HDAC2BCL2L1BAD
SCHEMBL2274953 0.85 ACLY (0.67) ACLYHDAC2RAB9ADHODHPTPN1
SCHEMBL2272122 0.84 DHODH (0.57) ACLYHDAC2DHODHPTPN1KCNK2
SCHEMBL21856899 0.83 ACLY (0.65) ACLYHSD17B10HDAC2LMNARAB9A

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 4 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
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 61/4885HSD17B10 1255/4885HDAC2 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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