SCHEMBL2099014

SCHEMBL2099014

N[C@]1(C(=O)c2ccc(O)c(O)c2)CCCC[C@]1(N)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
PTGS2 P35354 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC6 Q9UBN7 1/20 0.43
SNCA P37840 2/20 0.42
XDH P47989 2/20 0.42
DBH P09172 1/20 0.42
RECQL P46063 1/20 0.42
TERT O14746 2/20 0.41

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
SCHEMBL2099020 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28959012 0.74 CES2 (0.45) CA1CA2KDM4EMAPT
SCHEMBL28959051 0.74 CES2 (0.45) CA1CA2KDM4EMAPTL3MBTL1
SCHEMBL29779462 0.74 CES2 (0.45) CA1CA2KDM4EMAPTL3MBTL1
SCHEMBL29779489 0.74 CES2 (0.45) CA1CA2KDM4EMAPT
SCHEMBL29779471 0.74 CES2 (0.45) CA1CA2KDM4EMAPT
Protocatechuamide SCHEMBL1128716 0.68 LCK (0.65) CA12CA1CA2CA7CA9
SCHEMBL1599733 0.67 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1758192 0.67 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL6680645 0.67 PARP1 (0.42) CA12CA1CA2CA9KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US claimed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease PROTAMED, INC. 2011-07-14 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 (2 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-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 CA12 2256/4885CA1 1245/4885CA2 2891/4885
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease IAPP, SNCA, APP CA12 3336/4885CA1 3714/4885CA2 2593/4885

“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.