SCHEMBL10155801

SCHEMBL10155801

CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)C[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.58
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.46
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL3271625 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL746618 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL1359584 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL12322673 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL2517510 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL23938305 1.00 PDE4B (0.58) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL19064067 0.91 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL2537459 0.91 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL2534996 0.91 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL2992126 0.91 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PDE4B 2048/4885CTSK 4046/4885CTSL 1267/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2029/4885CTSK 4034/4885CTSL 1246/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 PDE4B 2048/4885CTSK 4046/4885CTSL 1267/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 PDE4B 2048/4885CTSK 4046/4885CTSL 1267/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2065/4885CTSK 4049/4885CTSL 1282/4885

“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.