SCHEMBL3898902

SCHEMBL3898902

CC(C)(C)OC(=O)CCN(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.38
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
SSTR4 P31391 1/20 0.31
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
EYA2 O00167 1/20 0.30
APP P05067 1/20 0.30
ACE P12821 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL31407654 0.90 KMT2A (0.42) CA14HDAC6HDAC1HDAC2HDAC3
SCHEMBL22852725 0.89 CA14 (0.43) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL20089215 0.88 CA14 (0.45) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL3903806 0.87 SMN1; SMN2 (0.39) CA14HDAC6HDAC1HDAC2
SCHEMBL2579003 0.87 CA14 (0.42) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL18116039 0.86 CA14 (0.41) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL4918504 0.84 CA14 (0.37) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL27322839 0.83 PHF8 (0.35) HDAC6HDAC1HDAC2TDP1
SCHEMBL78691 0.83 CA14 (0.41) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL1677637 0.82 CA12 (0.40) CA14HDAC6HDAC1HDAC2SSTR4

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 5 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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
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
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 CA14 4497/4885HDAC6 783/4885HDAC1 264/4885

“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.