SCHEMBL8205837

SCHEMBL8205837

CC(C)C[C@H](NC1CCN(c2ccc(C(=O)O)cc2)CC1)C(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
CASR P41180 4/20 0.44
ADRB3 P13945 3/20 0.43
ADRB1 P08588 2/20 0.43
ADRB2 P07550 1/20 0.42
NPR3 P17342 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HPGDS O60760 1/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
ANPEP P15144 2/20 0.39
LTA4H P09960 1/20 0.39
LAP3 P28838 1/20 0.39
NPEPPS P55786 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL3779026 0.90 HDAC6 (0.49) USP2ADRB3ADRB1ADRB2NPR3
SCHEMBL3779024 0.90 HDAC6 (0.49) USP2ADRB3ADRB1ADRB2NPR3
SCHEMBL8201962 0.85 HRH3 (0.42) NPR3HRH3MMP2MMP9ANPEP
SCHEMBL8194372 0.83 ADRB2 (0.39) USP2CASRADRB3ADRB1ADRB2
SCHEMBL3776456 0.77 HDAC6 (0.49) NPR3
SCHEMBL3776460 0.77 HDAC6 (0.49) NPR3
SCHEMBL8194150 0.76 DGAT2 (0.40) NPR3HRH3
SCHEMBL15906848 0.76 HRH3 (0.39) NPR3HRH3
SCHEMBL27784573 0.75 HDAC6 (0.53) USP2CASRADRB3ADRB1ADRB2
SCHEMBL3768338 0.75 HDAC6 (0.53) USP2CASRADRB3ADRB1ADRB2

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 USP2 1492/4885CASR 4208/4885ADRB3 3482/4885

“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.