SCHEMBL20110049

SCHEMBL20110049

Cc1cc(C(C)(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.38
▸ F11 P03951 3/20 0.36
▸ LPL P06858 10/20 0.36
▸ LIPG Q9Y5X9 10/20 0.36
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL17894235 0.84 FFAR1 (0.38) FFAR1F11LPLLIPGF2
SCHEMBL20110065 0.76 FFAR1 (0.39) FFAR1F11LPLLIPGF2
SCHEMBL20110069 0.74 IRAK4 (0.43) FFAR1F11LPLLIPGF2
SCHEMBL1129175 0.72 LIPG (0.59) FFAR1F11LPLLIPGF2
SCHEMBL20110068 0.72 FFAR1 (0.39) FFAR1F11LPLLIPGF2
SCHEMBL20110053 0.72 LPL (0.40) FFAR1F11LPLLIPGF2
SCHEMBL17903479 0.72 LPL (0.38) FFAR1F11LPLLIPGF2
SCHEMBL151089 0.71 LPL (0.52) FFAR1F11LPLLIPGF2
SCHEMBL19652465 0.71 LIPG (0.43) FFAR1F11LPLLIPGF2
SCHEMBL19652467 0.71 LIPG (0.43) FFAR1F11LPLLIPGF2

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 FFAR1 3901/4885F11 1015/4885LPL 2228/4885

“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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