SCHEMBL4302097

SCHEMBL4302097

COCCOC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.40
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.38
NAMPT P43490 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H2 P55055 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL1446592 0.87 USP2 (0.43) USP2SMN1; SMN2PKMEPHX2KDM4E
SCHEMBL447096 0.83 USP2 (0.42) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL17714571 0.83 USP2 (0.42) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL5896147 0.82 USP2 (0.49) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL16433062 0.81 USP2 (0.40) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL17714548 0.81 USP2 (0.40) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL2799709 0.81 PKM (0.47) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL27742523 0.80 USP2 (0.44) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL17714544 0.79 HPGD (0.39) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL17631772 0.78 USP2 (0.45) USP2SMN1; SMN2PKMEPHX2EPHX1

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
EP-2297153-B1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-05-27 EP disclosed
EP-2674433-A1 LIMK2 inhibitors, compositions comprising them and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 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 (2 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 USP2 1948/4885SMN1; SMN2 1340/4885PKM 908/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 USP2 1948/4885SMN1; SMN2 1340/4885PKM 908/4885

“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.