SCHEMBL6443648

SCHEMBL6443648

COCCNN[C@H](C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 3/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
PTGER4 P35408 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GRM1 Q13255 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6443647 1.00 POLB (0.38) POLBSMN1; SMN2NPSR1HPGDPPARG
SCHEMBL4058277 0.81 POLB (0.40) POLBSMN1; SMN2NPSR1HPGDPPARG
SCHEMBL35210732 0.74 TSHR (0.43) POLBSMN1; SMN2HPGDPPARGPPARA
SCHEMBL30473771 0.73 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAPLA2G2APLA2G5
SCHEMBL30414898 0.72 ALDH1A1 (0.38) POLBSMN1; SMN2NPSR1HPGDPLA2G2A
SCHEMBL3687552 0.69 TYR (0.44) SMN1; SMN2NPSR1PPARGPPARAPLA2G2A
SCHEMBL903604 0.69 TYR (0.44) SMN1; SMN2NPSR1PPARGPPARAPLA2G2A
SCHEMBL15289820 0.68 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1PLA2G2APLA2G5CA12
Lactic Acid SCHEMBL1833813 0.68 TP53 (0.48) HPGDPTGER4KDM4EALDH1A1
SCHEMBL15091742 0.68 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1PLA2G2APLA2G5CA12

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 5 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-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 POLB 1584/4885SMN1; SMN2 1200/4885NPSR1 542/4885

“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.