SCHEMBL17903449

SCHEMBL17903449

COc1ccccc1C(C)(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 10/20 0.45
▸ LIPG Q9Y5X9 10/20 0.45
▸ CASR P41180 1/20 0.40
▸ P4HB P07237 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ F11 P03951 2/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34

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
SCHEMBL1129078 0.86 LIPG (0.42) LPLLIPGCASRP4HBHIF1A
SCHEMBL25981588 0.85 LPL (0.46) LPLLIPGP4HBCA1CA2
SCHEMBL17903420 0.82 LPL (0.49) LPLLIPGCASRP4HBCA1
SCHEMBL1129175 0.81 LIPG (0.59) LPLLIPGP4HBCA1CA2
SCHEMBL1129236 0.81 LPL (0.47) LPLLIPGP4HBCA1CA2
SCHEMBL31207662 0.81 LPL (0.47) LPLLIPGP4HBCA1CA2
SCHEMBL15018269 0.79 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL18545738 0.77 CASR (0.51) CASRCA1CA2CA9
SCHEMBL20110067 0.77 CSF1R (0.40) LPLLIPGHIF1ADGAT1CSF1R
SCHEMBL25981571 0.76 LIPG (0.46) LPLLIPGCA1CA2CA9

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
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 — — US 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 1114/4885CASR 3971/4885

“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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