SCHEMBL4289997

SCHEMBL4289997

CN(C)C(=O)Oc1cccc(NC(=O)C2(OCc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 8/20 0.42
YAP1 P46937 3/20 0.42
TACR1 P25103 1/20 0.42
USP30 Q70CQ3 1/20 0.41
LIMK1 P53667 5/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
EPHX2 P34913 2/20 0.41
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40

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
SCHEMBL1447638 0.89 LIMK2 (0.44) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL4303404 0.88 TACR1 (0.48) LIMK2YAP1TACR1USP30LIMK1
SCHEMBL1446772 0.87 LIMK2 (0.48) LIMK2LIMK1ROCK2ROCK1EPHX2
SCHEMBL1446658 0.87 LIMK2 (0.46) LIMK2USP30LIMK1ROCK2ROCK1
SCHEMBL4295039 0.86 LIMK2 (0.43) LIMK2YAP1TACR1LIMK1ROCK2
SCHEMBL1447574 0.84 LIMK2 (0.55) LIMK2LIMK1ROCK2ROCK1EPHX2
SCHEMBL1446544 0.83 F10 (0.44) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL1448863 0.82 LIMK2 (0.51) LIMK2LIMK1ROCK2ROCK1EPHX2
SCHEMBL1446824 0.81 LIMK2 (0.58) LIMK2LIMK1ROCK2ROCK1EPHX2
SCHEMBL4297270 0.81 LIMK2 (0.44) LIMK2LIMK1ROCK2ROCK1EPHX2

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 LIMK2 1/4885YAP1 463/4885TACR1 4857/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885YAP1 463/4885TACR1 4857/4885

“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.