SCHEMBL3901647

SCHEMBL3901647

CC(C(=O)OC(C)(C)C)N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL5724032 0.84 HDAC6 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL7434816 0.81
SCHEMBL18634785 0.79 HDAC6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL6888470 0.77 CTSS (0.36) HDAC6HDAC1HDAC2
SCHEMBL19837575 0.76 CA14 (0.32) HDAC6HDAC1HDAC2
SCHEMBL22157826 0.76 CYP2D6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL22157825 0.76 CYP2D6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL28412217 0.76 CYP2D6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL342022 0.76 GABRR1 (0.35) HDAC6
SCHEMBL2258404 0.76 CA14 (0.33) HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 HDAC6 783/4885HDAC1 264/4885HDAC2 153/4885

“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.