SCHEMBL2645306

SCHEMBL2645306

CC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR2 P25025 3/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
ROCK1 Q13464 1/20 0.35
KIF11 P52732 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
LIPE Q05469 1/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL30316304 0.88 LMNA (0.41) KDM4EMEN1KMT2ACXCR2LPL
SCHEMBL19318869 0.88 CXCR2 (0.38) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30175604 0.88 CXCR2 (0.38) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20605342 0.86 PARP1 (0.41) CXCR2LPLLIPGROCK1LIPE
SCHEMBL15056446 0.84 MAPT (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2CXCR2
SCHEMBL938124 0.84 CA12 (0.41) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18371630 0.83 PKM (0.44) KDM4ENPC1MAPTRAB9AP4HB
SCHEMBL14217297 0.83 CYP2A6 (0.38) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18748515 0.81 KIF11 (0.44) ALDH1A1KMT2ASMN1; SMN2MAOBMAOA
SCHEMBL21928331 0.81 MEN1 (0.42) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425782-A Preparation method of 5-acetyl-2-fluorobenzeneboronic acid pinacol ester 烟台盛凯伦化学科技有限公司 2023-07-14 CN claimed
CN-116425782-A Preparation method of 5-acetyl-2-fluorobenzeneboronic acid pinacol ester 烟台盛凯伦化学科技有限公司 2023-07-14 CN disclosed
CN-116425782-A Preparation method of 5-acetyl-2-fluorobenzeneboronic acid pinacol ester 烟台盛凯伦化学科技有限公司 2023-07-14 CN disclosed
CN-116425782-A Preparation method of 5-acetyl-2-fluorobenzeneboronic acid pinacol ester 烟台盛凯伦化学科技有限公司 2023-07-14 CN disclosed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 KDM4E 3163/4885MEN1 4325/4885ALDH1A1 260/4885

“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.