SCHEMBL4683897

SCHEMBL4683897

CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.67
ADAMTS4 O75173 1/20 0.46
PTPRA P18433 1/20 0.44
MME P08473 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL4683895 1.00 CA2 (0.67) CA2ADAMTS4PTPRAMMECYP3A4
SCHEMBL7393135 0.90 CA2 (0.60) CA2ADAMTS4PTPRAALDH1A1SMN1; SMN2
SCHEMBL7302427 0.90 CA2 (0.60) CA2ADAMTS4PTPRAALDH1A1SMN1; SMN2
SCHEMBL27395775 0.90 CA2 (0.60) CA2ADAMTS4PTPRAALDH1A1SMN1; SMN2
SCHEMBL2760067 0.90 CA2 (0.64) CA2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL2736137 0.90 CA2 (0.64) CA2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7305790 0.89 CA2 (0.55) CA2ADAMTS4CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4676249 0.87 CA2 (0.62) CA2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL1311850 0.87 CA2 (0.68) CA2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7332427 0.87 CA2 (0.53) CA2ADAMTS4PTPRAMMECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
EP-0997459-B1 Intermediates for preparing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-11-26 EP disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 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-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5807870-A SIDE EFFECT REDUCTION BIOMEGA BOEHRINGER INGELHEIM RESEARCH LTD. (CA) 1998-09-15 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed
WO-1993023361-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED DIAMINODIOL ABBOTT LABORATORIES (US) 1993-11-25 WO disclosed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 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
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CA2 608/4885ADAMTS4 845/4885PTPRA 2975/4885

“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.