SCHEMBL6447474

SCHEMBL6447474

NC(=O)CC(NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSS P25774 9/20 0.48
HTT P42858 1/20 0.47
CAPN1 P07384 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
ECE1 P42892 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSL P07711 1/20 0.39

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
SCHEMBL6447475 1.00 PKM (0.50) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL9852719 0.87 SMN1; SMN2 (0.53) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL1038171 0.84 ECE1 (0.42) HTTPOLBGAAECE1
SCHEMBL5781357 0.81 SMN1; SMN2 (0.53) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL5516579 0.78 PKM (0.58) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL6801263 0.78 CTSS (0.69) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL6802863 0.78 CTSS (0.69) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL5516574 0.78 PKM (0.58) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL7027854 0.78 CTSS (0.69) PKMSMN1; SMN2CTSSHTTCAPN1
SCHEMBL6801412 0.78 HTT (0.56) PKMSMN1; SMN2CTSSHTTCAPN1

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 4 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

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 PKM 2587/4885SMN1; SMN2 1200/4885CTSS 82/4885

“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.