Sugi Predict

Sugi Predict / Compounds / SCHEMBL4295039

SCHEMBL4295039

SCHEMBL4295039

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 10/20 0.43
▸ LIMK1 P53667 7/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ P2RX7 Q99572 3/20 0.40
▸ YAP1 P46937 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ TACR1 P25103 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
SCHEMBL1446726 0.90 LIMK2 (0.46) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL4303404 0.89 TACR1 (0.48) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446658 0.88 LIMK2 (0.46) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL4289997 0.86 LIMK2 (0.42) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446510 0.84 LIMK2 (0.43) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1448863 0.84 LIMK2 (0.51) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446824 0.82 LIMK2 (0.58) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL15054811 0.82 MEN1 (0.42) P2RX7YAP1BACE1TACR1
SCHEMBL1447574 0.82 LIMK2 (0.55) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446859 0.81 MEN1 (0.48) P2RX7BACE1TACR1

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 1/4885LIMK1 2/4885ROCK1 308/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885LIMK1 2/4885ROCK1 308/4885

“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.