SCHEMBL2393583

SCHEMBL2393583

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.59
ATM Q13315 2/20 0.57
CTSK P43235 3/20 0.57
KMT2A Q03164 1/20 0.55
CTSS P25774 3/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
MMP8 P22894 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TPSAB1 Q15661 2/20 0.52
PLG P00747 1/20 0.52
PRSS1 P07477 1/20 0.52

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
SCHEMBL29253632 1.00 BACE1 (0.59) BACE1ATMCTSKKMT2ACTSS
SCHEMBL30279569 1.00 BACE1 (0.59) BACE1ATMCTSKKMT2ACTSS
SCHEMBL24347009 0.97 BACE1 (0.60) BACE1ATMCTSKKMT2ACTSS
SCHEMBL1752677 0.92 CTSK (0.60) BACE1ATMCTSKKMT2ACTSS
SCHEMBL24345984 0.88 BACE1 (0.55) BACE1ATMCTSKKMT2ACTSS
SCHEMBL7102367 0.87 ATM (0.59) BACE1ATMCTSKCTSSCTSL
SCHEMBL7654104 0.86 TPSAB1 (0.56) BACE1KMT2ACA1TPSAB1PLG
SCHEMBL23461953 0.86 TPSAB1 (0.50) BACE1ATMCTSKKMT2ACTSS
SCHEMBL19192563 0.86 ATM (0.55) BACE1ATMCTSKKMT2ACTSS
SCHEMBL30968600 0.86 ATM (0.53) BACE1ATMCTSKKMT2ACTSS

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436954-A1 DEUTERATED FUNCTIONALIZED DERIVATIVES OF ?-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2024-10-02 EP disclosed
CN-118302410-A Deuterated functionalized derivatives of alpha-alanine, in particular for the treatment of neurological diseases 雅盖隆大学 2024-07-05 CN disclosed
EP-4198029-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF University Health Network (CA) 2023-06-21 EP disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-5504115-A MERCAPTO-GROUP CONTAINING DIPEPTIDES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-04-02 US disclosed
EP-0664789-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE. 1995-09-06 EP disclosed
EP-0664789-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE Merck & Co., Inc. (a New Jersey corp.) (US) 1995-08-02 EP disclosed
US-5352705-A Dipeptide-based amide compounds; anticarcinogenic agents MERCK & CO., INC. (US) 1994-10-04 US disclosed
WO-1994000419-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-01-06 WO 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 BACE1 3582/4885ATM 4639/4885CTSK 884/4885

“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.