SCHEMBL11959659

SCHEMBL11959659

Bc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 13/20 0.59
▸ LPL P06858 12/20 0.59
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA3 P07451 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ ESR2 Q92731 1/20 0.47
▸ F11 P03951 2/20 0.47
▸ P4HB P07237 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41

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
SCHEMBL228212 0.88 LPL (0.71) LIPGLPLCA1CA2CA9
SCHEMBL21125541 0.83 LIPG (0.51) LIPGLPLCA1CA2CA9
SCHEMBL24608995 0.81 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL2707320 0.81 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL12648067 0.81 LPL (0.53) LIPGLPLCA1CA2CA9
SCHEMBL64653 0.79 LPL (0.61) LIPGLPLCA1CA2CA9
SCHEMBL55445 0.77 LPL (0.59) LIPGLPLCA1CA2CA9
SCHEMBL12548009 0.77 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL10323 0.77 LPL (0.88) LIPGLPLCA1CA2CA9
SCHEMBL171682 0.77 LPL (0.59) LIPGLPLCA1CA2CA9

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
CN-114621146-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-06-14 — — CN disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — US disclosed
WO-2017023631-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 — — EP 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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 LIPG 1919/4885LPL 1413/4885CA1 4815/4885

“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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