SCHEMBL1491700

SCHEMBL1491700

CC(C)(C)OC(=O)NCc1ccc(CNC(Cc2ccccc2)C(=O)OC2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CACNA1B Q00975 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ATM Q13315 1/20 0.44
HDAC1 Q13547 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL1491697 1.00 ITGA4 (0.51) ITGA4ITGB7MEN1KMT2ACACNA1B
SCHEMBL8204563 0.86 ALDH1A1 (0.49) CACNA1BKDM4EMAPTTDP1NAMPT
SCHEMBL8195663 0.86 ALDH1A1 (0.49) CACNA1BKDM4EMAPTTDP1NAMPT
SCHEMBL1491694 0.85 ITGA4 (0.51) ITGA4ITGB7MEN1KMT2ACACNA1B
SCHEMBL5820675 0.84 CTSS (0.57) KMT2ACACNA1BCTSSCTSKCTSL
SCHEMBL5820678 0.84 CTSS (0.57) KMT2ACACNA1BCTSSCTSKCTSL
SCHEMBL1491399 0.83 CACNA1B (0.49) CACNA1BMAPTTDP1HDAC1NAMPT
SCHEMBL1491397 0.83 CACNA1B (0.49) CACNA1BMAPTTDP1HDAC1NAMPT
SCHEMBL27711461 0.83 MEN1 (0.55) ITGA4ITGB7MEN1KMT2AKDM4E
SCHEMBL1491446 0.82 KLKB1 (0.49) ITGA4ITGB7CTSLATMF2

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 1727/4885MEN1 2620/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ITGA4 2141/4885ITGB7 2487/4885MEN1 2784/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ITGA4 1913/4885ITGB7 1438/4885MEN1 3381/4885

“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.