SCHEMBL20110065

SCHEMBL20110065

Cc1ccnc(C(C)(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.39
▸ LPL P06858 9/20 0.37
▸ LIPG Q9Y5X9 9/20 0.37
▸ HIF1A Q16665 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ F11 P03951 2/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 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
SCHEMBL17903479 0.85 LPL (0.38) FFAR1LPLLIPGHIF1ADGAT1
SCHEMBL25981568 0.83 LPL (0.40) LPLLIPGF11CA1CA2
SCHEMBL20110053 0.81 LPL (0.40) FFAR1LPLLIPGHIF1ADGAT1
SCHEMBL17903582 0.80 LPL (0.38) FFAR1LPLLIPGHIF1ADGAT1
SCHEMBL31207675 0.80 LPL (0.38) FFAR1LPLLIPGHIF1ADGAT1
SCHEMBL19652467 0.77 LIPG (0.43) FFAR1LPLLIPGHIF1AF11
SCHEMBL19652465 0.77 LIPG (0.43) FFAR1LPLLIPGHIF1AF11
SCHEMBL17903421 0.77 LIPG (0.43) FFAR1LPLLIPGHIF1AF11
SCHEMBL20110049 0.76 FFAR1 (0.38) FFAR1LPLLIPGHIF1ADGAT1
SCHEMBL20110068 0.75 FFAR1 (0.39) FFAR1LPLLIPGHIF1ADGAT1

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 3901/4885LPL 2228/4885LIPG 1114/4885

“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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