SCHEMBL6443665

SCHEMBL6443665

CCCOC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
TYR P14679 1/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6443671 1.00 SMN1; SMN2 (0.47) SMN1; SMN2PLA2G2APLA2G5TYRPPARG
SCHEMBL1287155 0.89 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5TYRPPARG
SCHEMBL7755148 0.89 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5TYRPPARG
SCHEMBL509967 0.89 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5TYRPPARG
SCHEMBL8466581 0.88 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL9828390 0.88 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL8467616 0.88 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7769533 0.86 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7770755 0.86 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7770760 0.86 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA

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
US-5491165-A Fungicidal active compound combinations BAYER AKTIENGESELLSCHAFT (DE) 1996-02-13 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 SMN1; SMN2 1200/4885PLA2G2A 2270/4885PLA2G5 1274/4885

“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.