SCHEMBL1446828

SCHEMBL1446828

CN(C)CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ TACR1 P25103 1/20 0.36

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
SCHEMBL17144773 0.86 USP2 (0.44) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL1446792 0.84 MEN1 (0.39) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL17707510 0.84 USP2 (0.45) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL7453562 0.82 CYP4F2 (0.45) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL29215638 0.82 USP2 (0.43) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL7303096 0.81 USP2 (0.47) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL965651 0.81 USP2 (0.51) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL17608984 0.81 CYP4F2 (0.44) HPGDUSP2SMN1; SMN2RECQLCYP4F2
SCHEMBL15740834 0.81 USP2 (0.42) HPGDUSP2SMN1; SMN2RECQLGPR119
SCHEMBL14155541 0.80 USP2 (0.46) HPGDUSP2SMN1; SMN2RECQLCYP4F2

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 10 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
CN-101565420-B Limk2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC 2015-05-20 — — CN 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
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
CN-101565420-A LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC (US) 2009-10-28 — — CN 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 HPGD 3269/4885USP2 1948/4885SMN1; SMN2 1340/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 HPGD 3269/4885USP2 1948/4885SMN1; SMN2 1340/4885

“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.

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