SCHEMBL6447455

SCHEMBL6447455

CC(C)CC(NC(=O)N1CCSCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CTSS P25774 6/20 0.48
FOLH1 Q04609 5/20 0.46
CAPN1 P07384 1/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
LAP3 P28838 2/20 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
SCHEMBL6447450 1.00 GAA (0.59) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL7270649 0.85 POLB (0.68) GAAPOLBCTSSFOLH1
SCHEMBL7270654 0.85 POLB (0.68) GAAPOLBCTSSFOLH1
SCHEMBL7341199 0.84 GAA (0.62) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL3966807 0.84 GAA (0.62) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL7040252 0.84 GAA (0.62) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL6618585 0.83 GAA (0.64) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL7339296 0.83 GAA (0.64) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL6801263 0.81 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL6802863 0.81 CTSS (0.69) GAAALDH1A1CTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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 GAA 27/4885ALDH1A1 889/4885MEN1 2134/4885

“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.