SCHEMBL6443903

SCHEMBL6443903

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.36
ACACB O00763 1/20 0.36
CTSS P25774 4/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6445944 0.80 SMN1; SMN2 (0.64) SMN1; SMN2PKMALDH1A1CTSSHTT
SCHEMBL5839241 0.80 SMN1; SMN2 (0.64) SMN1; SMN2PKMALDH1A1CTSSHTT
SCHEMBL13645754 0.80 SMN1; SMN2 (0.50) SMN1; SMN2PKMALDH1A1ACACBDPP4
SCHEMBL28448280 0.76 HTT (0.39) SMN1; SMN2PKMALDH1A1ACACBCTSS
SCHEMBL15413810 0.76 SMN1; SMN2 (0.44) SMN1; SMN2PKMALDH1A1HTTMAPT
SCHEMBL6712903 0.75 SMN1; SMN2 (0.43) SMN1; SMN2PKMALDH1A1CTSS
SCHEMBL132349 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL1203937 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL193513 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7105559 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPT

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 SMN1; SMN2 1200/4885PKM 2587/4885ALDH1A1 889/4885

“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.