SCHEMBL20110052

SCHEMBL20110052

Cc1cc(C(F)(F)F)cc(C(C)(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 12/20 0.40
▸ LIPG Q9Y5X9 12/20 0.40
▸ F11 P03951 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ FFAR1 O14842 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 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
SCHEMBL17903587 0.95 LPL (0.44) LPLLIPGF11F2PRSS1
SCHEMBL17893865 0.85 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17894260 0.85 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17894262 0.85 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17903443 0.83 LPL (0.39) LPLLIPGF11F2PRSS1
SCHEMBL19652467 0.81 LIPG (0.43) LPLLIPGF11F2PRSS1
SCHEMBL19652465 0.81 LIPG (0.43) LPLLIPGF11F2PRSS1
SCHEMBL17903421 0.81 LIPG (0.43) LPLLIPGF11F2PRSS1
SCHEMBL17903578 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL20110068 0.79 FFAR1 (0.39) LPLLIPGF11F2PRSS1

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 1 patent. 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

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-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN LPL 2228/4885LIPG 1114/4885F11 1015/4885

“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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