SCHEMBL17894235

SCHEMBL17894235

Cn1nc(C(C)(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.38
▸ F11 P03951 3/20 0.38
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ LPL P06858 8/20 0.36
▸ LIPG Q9Y5X9 8/20 0.36
▸ HIF1A Q16665 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ DGAT1 O75907 1/20 0.31

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
SCHEMBL20110049 0.84 FFAR1 (0.38) FFAR1F11F2PRSS1PRSS2
SCHEMBL17894307 0.77 MEN1 (0.47) BTKPKM
SCHEMBL17903479 0.76 LPL (0.38) FFAR1F11F2PRSS1PRSS2
SCHEMBL17903587 0.76 LPL (0.44) FFAR1F11F2PRSS1PRSS2
SCHEMBL31207677 0.76 LIPG (0.40) FFAR1F11F2PRSS1PRSS2
SCHEMBL17905759 0.76 LIPG (0.40) FFAR1F11F2PRSS1PRSS2
SCHEMBL25244776 0.74 CA1 (0.48) F11F2PRSS1PRSS2PRSS3
SCHEMBL17903582 0.74 LPL (0.38) FFAR1F11F2PRSS1PRSS2
SCHEMBL31207675 0.74 LPL (0.38) FFAR1F11F2PRSS1PRSS2
SCHEMBL17903443 0.73 LPL (0.39) FFAR1F11F2PRSS1PRSS2

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
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 — — US disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 — — EP disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO 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 FFAR1 3901/4885F11 1015/4885F2 3042/4885

“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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