SCHEMBL4498801

SCHEMBL4498801

C=C(C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.43
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
MAPT P10636 2/20 0.34
PAX8 Q06710 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
HIPK3 Q9H422 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ELANE P08246 2/20 0.31
DRD2 P14416 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25189253 0.87 PREP (0.43) PREPCA12CA1CA9MAPT
SCHEMBL6763899 0.82 PREP (0.53) PREPCA12CA1CA9
SCHEMBL936407 0.81 MAPT (0.53) PREPCA12CA1CA9MAPT
SCHEMBL5133427 0.81 PREP (0.43) PREPCA12CA1CA9MAPT
SCHEMBL14834242 0.81 CA12 (0.37) PREPCA12CA1CA9DRD2
SCHEMBL5032759 0.81 PREP (0.42) PREPCA12CA1CA9ELANE
SCHEMBL5133494 0.81 PREP (0.41) PREPCA12CA1CA9DRD2
SCHEMBL23929766 0.81 PREP (0.39) PREPCA12CA1CA9
SCHEMBL6524959 0.81 MEN1 (0.43) PREPCA12CA1CA9MAPT
SCHEMBL7754386 0.80 MAPT (0.38) CA1MAPTPAX8CLK1CLK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-7132432-B2 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-07 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
US-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (5 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A PREP 235/4885CA12 4127/4885CA1 3556/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN PREP 908/4885CA12 4641/4885CA1 3531/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A PREP 235/4885CA12 4127/4885CA1 3556/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN PREP 917/4885CA12 4692/4885CA1 3799/4885
US-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) ADAM17, ADAMTS1, MMP3 PREP 44/4885CA12 91/4885CA1 40/4885

“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.