SCHEMBL1491694

SCHEMBL1491694

CC(C)(C)OC(=O)C(N)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
TYR P14679 1/20 0.41
REN P00797 2/20 0.40
CACNA1B Q00975 5/20 0.39
MAPT P10636 1/20 0.39
YAP1 P46937 1/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MLYCD O95822 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL1491700 0.85 ITGA4 (0.51) ITGA4ITGB7CACNA1BMAPTMEN1
SCHEMBL1491697 0.85 ITGA4 (0.51) ITGA4ITGB7CACNA1BMAPTMEN1
SCHEMBL27711462 0.85 ITGA4 (0.54) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL27711460 0.85 ITGA4 (0.54) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL1491446 0.82 KLKB1 (0.49) ITGA4ITGB7TYRATM
SCHEMBL1491449 0.82 KLKB1 (0.49) ITGA4ITGB7TYRATM
SCHEMBL27711478 0.78 CACNA1B (0.45) CACNA1BKMT2A
SCHEMBL5820675 0.78 CTSS (0.57) CACNA1BKMT2AATMACE
SCHEMBL5820678 0.78 CTSS (0.57) CACNA1BKMT2AATMACE
SCHEMBL8336978 0.76 ITGA4 (0.67) ITGA4ITGB7MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ITGA4 3184/4885ITGB7 1727/4885TYR 3233/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ITGA4 2141/4885ITGB7 2487/4885TYR 2562/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ITGA4 1913/4885ITGB7 1438/4885TYR 3112/4885

“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.