SCHEMBL4894627

SCHEMBL4894627

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.58
CTSK P43235 6/20 0.58
ATM Q13315 1/20 0.54
MME P08473 3/20 0.46
ACE P12821 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 3/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
TRPA1 O75762 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL4896117 1.00 CTSS (0.58) CTSSCTSKATMMMEACE
SCHEMBL7455343 1.00 CTSS (0.58) CTSSCTSKATMMMEACE
SCHEMBL21676555 0.87 ATM (0.55) CTSSCTSKATMACEAPP
SCHEMBL6479222 0.87 CTSS (0.57) CTSSCTSKATMAPPCTSL
SCHEMBL6479279 0.87 CTSS (0.57) CTSSCTSKATMAPPCTSL
SCHEMBL10076447 0.87 ATM (0.55) CTSSCTSKATMACEAPP
SCHEMBL6479218 0.87 CTSS (0.57) CTSSCTSKATMAPPCTSL
SCHEMBL21409069 0.86 CTSK (0.50) CTSSCTSKATMKMT2AMEN1
SCHEMBL1595057 0.86 ATM (0.52) CTSSCTSKATMACEAPP
SCHEMBL21409066 0.86 CTSK (0.50) CTSSCTSKATMKMT2AMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0873308-B1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS AND THEIR PHARMACEUTICALLY USEFUL SALTS SK CORP (KR) 2002-01-02 EP disclosed
EP-0820438-B1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME SK CORP (KR) 2001-06-20 EP disclosed
US-6140532-A O-carbamoyl-phenylalaninol having substituent at benzene ring, its pharmaceutically useful salts and method for preparing the same SK CORPORATION (US) 2000-10-31 US disclosed
EP-0873308-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK Corporation (KR) 1998-10-28 EP disclosed
US-5756817-A TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEMS YUKONG LIMITED (KR) 1998-05-26 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
WO-1998015526-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK CORPORATION (KR) 1998-04-16 WO disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
WO-1996032375-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-10-17 WO disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR CTSS 1730/4885CTSK 932/4885ATM 45/4885

“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.