SCHEMBL19652467

SCHEMBL19652467

Cc1cccc([C@@](C)(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 13/20 0.43
▸ LPL P06858 12/20 0.43
▸ F11 P03951 2/20 0.37
▸ P4HB P07237 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL19652465 1.00 LIPG (0.43) LIPGLPLF11P4HBCA1
SCHEMBL17903421 1.00 LIPG (0.43) LIPGLPLF11P4HBCA1
SCHEMBL17903435 0.87 LIPG (0.44) LIPGLPLF11P4HBCA1
SCHEMBL1129175 0.85 LIPG (0.59) LIPGLPLF11P4HBCA1
SCHEMBL17903440 0.85 LIPG (0.42) LIPGLPLF11P4HBCA1
SCHEMBL17893865 0.85 LIPG (0.42) LIPGLPLF11P4HBCA1
SCHEMBL1129310 0.85 LIPG (0.48) LIPGLPLF11P4HBCA1
SCHEMBL17903578 0.85 LIPG (0.42) LIPGLPLF11P4HBCA1
SCHEMBL17894262 0.85 LIPG (0.42) LIPGLPLF11P4HBCA1
SCHEMBL17894260 0.85 LIPG (0.42) LIPGLPLF11P4HBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 — — US disclosed
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — 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 (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-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN LIPG 1114/4885LPL 2228/4885F11 1015/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 LIPG 1648/4885LPL 2325/4885F11 775/4885

“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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