SCHEMBL18305083

SCHEMBL18305083

C[S+]([O-])c1cc(B2OC(C)(C)C(C)(C)O2)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.40
LPL P06858 12/20 0.40
ROCK1 Q13464 1/20 0.39
F11 P03951 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
HIF1A Q16665 1/20 0.34
ESR2 Q92731 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
SCHEMBL3226225 0.78 LIPG (0.44) LIPGLPLROCK1F11CA1
SCHEMBL16795239 0.78 LIPG (0.45) LIPGLPLROCK1F11CA1
SCHEMBL3321140 0.77 ROCK1 (0.55) LIPGLPLROCK1F11CA1
SCHEMBL26988116 0.77 F11 (0.44) LIPGLPLROCK1F11CA1
SCHEMBL2695426 0.77 LIPG (0.42) LIPGLPLROCK1F11CA1
SCHEMBL23984232 0.76 F11 (0.43) LIPGLPLROCK1F11CA1
SCHEMBL18197394 0.76 ROCK1 (0.43) LIPGLPLROCK1F11CA1
SCHEMBL4815568 0.75 LPL (0.44) LIPGLPLROCK1F11CA1
SCHEMBL1284600 0.75 F11 (0.45) LIPGLPLROCK1F11CA1
SCHEMBL16831631 0.75 LIPG (0.44) LIPGLPLROCK1F11CA1

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
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US disclosed
EP-3303318-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 EP disclosed
WO-2016198400-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2016-12-15 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A LIPG 2052/4885LPL 2955/4885ROCK1 3725/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA LIPG 1103/4885LPL 2702/4885ROCK1 4204/4885

“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.