SCHEMBL17903479

SCHEMBL17903479

CC(O)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.38
▸ LIPG Q9Y5X9 6/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ F11 P03951 3/20 0.37
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ BTK Q06187 2/20 0.36
▸ PDGFRB P09619 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ LIPE Q05469 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
SCHEMBL31207675 0.90 LPL (0.38) LPLLIPGFFAR1F11F2
SCHEMBL17903582 0.90 LPL (0.38) LPLLIPGFFAR1F11F2
SCHEMBL25985334 0.86 LPL (0.40) LPLLIPGF11F2PRSS1
SCHEMBL20110065 0.85 FFAR1 (0.39) LPLLIPGFFAR1F11F2
SCHEMBL17903587 0.80 LPL (0.44) LPLLIPGFFAR1F11F2
SCHEMBL17894260 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17894262 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17893865 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL20110053 0.79 LPL (0.40) LPLLIPGFFAR1F11F2
SCHEMBL17903443 0.78 LPL (0.39) LPLLIPGFFAR1F11F2

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
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 — — EP disclosed
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 — — US disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — 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 (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 1114/4885FFAR1 3901/4885

“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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