SCHEMBL6445332

SCHEMBL6445332

CC(C)C(NS(=O)(=O)N(C)Cc1ccccn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.54
CA2 P00918 2/20 0.46
GAA P10253 1/20 0.46
MMP13 P45452 3/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP7 P09237 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.43
RAB9A P51151 1/20 0.43
PTPRA P18433 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 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
SCHEMBL6445333 1.00 ADAMTS4 (0.54) ADAMTS4CA2GAAMMP13MMP2
SCHEMBL6449414 0.88 RAB9A (0.46) ADAMTS4CA2GAAHTTATM
SCHEMBL6449417 0.88 RAB9A (0.46) ADAMTS4CA2GAAHTTATM
SCHEMBL6449587 0.81 CA2 (0.71) CA2GAAHTTATMKMT2A
SCHEMBL6454009 0.81 CA2 (0.71) CA2GAAHTTATMKMT2A
SCHEMBL6449662 0.81 CA2 (0.71) CA2GAAHTTATMKMT2A
SCHEMBL7332138 0.79 ADAMTS4 (0.55) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL7332133 0.79 ADAMTS4 (0.55) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL4683895 0.77 CA2 (0.67) ADAMTS4CA2GAAKMT2ACYP1A2
SCHEMBL4683897 0.77 CA2 (0.67) ADAMTS4CA2GAAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 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
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 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 ADAMTS4 845/4885CA2 608/4885GAA 27/4885

“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.