SCHEMBL8204563

SCHEMBL8204563

CC(C)C[C@H](NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CACNA1B Q00975 5/20 0.48
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 1/20 0.41
REN P00797 4/20 0.41
NPR3 P17342 1/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NAMPT P43490 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8195663 1.00 ALDH1A1 (0.49) ALDH1A1LMNACACNA1BMAPTNPSR1
SCHEMBL1491399 0.87 CACNA1B (0.49) ALDH1A1LMNACACNA1BMAPTNPSR1
SCHEMBL1491397 0.87 CACNA1B (0.49) ALDH1A1LMNACACNA1BMAPTNPSR1
SCHEMBL1491700 0.86 ITGA4 (0.51) CACNA1BMAPTTDP1KDM4ENAMPT
SCHEMBL1491697 0.86 ITGA4 (0.51) CACNA1BMAPTTDP1KDM4ENAMPT
SCHEMBL14856593 0.83 TPSAB1 (0.49) ALDH1A1CACNA1BNPR3MAPK14MAPK13
SCHEMBL14856518 0.82 NPR3 (0.44) ALDH1A1CACNA1BNPR3MAPK14MAPK13
SCHEMBL4076211 0.82 PPID (0.49) ALDH1A1NPR3MAPK14MAPK13MAPK12
SCHEMBL13153852 0.82 NPR3 (0.44) ALDH1A1CACNA1BNPR3MAPK14MAPK13
SCHEMBL14856517 0.82 NPR3 (0.44) ALDH1A1CACNA1BNPR3MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 ALDH1A1 724/4885LMNA 884/4885CACNA1B 1232/4885

“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.