SCHEMBL2546331

SCHEMBL2546331

CC(C)(C)OC(=O)N(Cc1ccc(N)cc1)[C@@H](Cc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CACNA1B Q00975 5/20 0.37
PDE4A P27815 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL22641456 1.00 HSD11B1 (0.38) HSD11B1CACNA1BPDE4AITGA4ITGB7
SCHEMBL2547393 0.88 MAPK14 (0.37) HSD11B1CACNA1BITGA4ITGB7HDAC3
SCHEMBL1493572 0.86 CACNA1B (0.38) HSD11B1CACNA1BPDE4ALMNAHSD17B10
SCHEMBL2544106 0.86 AAK1 (0.39) CACNA1BREN
SCHEMBL1493571 0.86 CACNA1B (0.38) HSD11B1CACNA1BPDE4ALMNAHSD17B10
SCHEMBL2544105 0.86 AAK1 (0.39) CACNA1BREN
SCHEMBL4564346 0.84 ALDH1A1 (0.42) ITGA4ITGB7HDAC3HDAC1HDAC2
SCHEMBL4564347 0.84 ALDH1A1 (0.42) ITGA4ITGB7HDAC3HDAC1HDAC2
SCHEMBL2545373 0.79 PABPC1 (0.38) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2546105 0.79 MAPK14 (0.53)

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
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 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 (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-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 HSD11B1 189/4885CACNA1B 4506/4885PDE4A 1742/4885

“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.