SCHEMBL6443937

SCHEMBL6443937

CC(C)C(NC(=O)CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
SDCBP O00560 3/20 0.49
SDC2 P34741 3/20 0.49
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
EPHX2 P34913 3/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PHF8 Q9UPP1 5/20 0.43
KDM2A Q9Y2K7 5/20 0.43
KDM4E B2RXH2 3/20 0.43
KDM5C P41229 3/20 0.43
EGLN1 Q9GZT9 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GNPAT O15228 1/20 0.43
KDM6B O15054 1/20 0.43
FOLH1 Q04609 1/20 0.43
KDM7A Q6ZMT4 1/20 0.42

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
SCHEMBL6443939 1.00 NPSR1 (0.51) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL6444700 0.88 PLA2G2A (0.51) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL29901839 0.88 EPHX2 (0.50) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL6444706 0.88 PLA2G2A (0.51) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL6448445 0.86 PLA2G2A (0.54) NPSR1SDCBPSDC2PLA2G2APLA2G5
Hydrochloric Acid SCHEMBL29901850 0.86 EPHX2 (0.49) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL6448450 0.86 PLA2G2A (0.54) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL26620701 0.86 NPSR1 (0.41) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL26620698 0.86 NPSR1 (0.41) NPSR1SDCBPSDC2PLA2G2APLA2G5
SCHEMBL19197747 0.86 NPSR1 (0.42) NPSR1SDCBPSDC2EPHX2ALDH1A1

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 6 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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 NPSR1 542/4885SDCBP 3079/4885SDC2 3257/4885

“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.