SCHEMBL2293040

SCHEMBL2293040

NC(=O)CC(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
EGLN1 Q9GZT9 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
ECE1 P42892 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
FAAH O00519 5/20 0.37
PTPN1 P18031 1/20 0.36
CTH P32929 1/20 0.36
APEX1 P27695 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL2807522 0.83 EGLN1 (0.46) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL6471153 0.80 LDHA (0.47) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL23048107 0.80 FAAH (0.43) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL8090847 0.78 CA1 (0.40) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL16384730 0.78 PTPN1 (0.49) ALDH1A1MAPTTDP1KDM4ESLC22A6
SCHEMBL19061397 0.77 LMNA (0.33) ALDH1A1TDP1LMNAALOX15RECQL
SCHEMBL27386877 0.77 ALDH1A1 (0.38) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL25372345 0.77 PTPN1 (0.56) ALDH1A1MAPTTDP1LMNAKDM4E
SCHEMBL25374396 0.77 PTPN1 (0.56) ALDH1A1MAPTTDP1LMNAKDM4E
SCHEMBL25374908 0.77 PTPN1 (0.56) ALDH1A1MAPTTDP1LMNAKDM4E

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-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 US disclosed
CN-101163707-A Thienopyridines MERCK PATENT GMBH (DE) 2008-04-16 CN 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-20100048558-A1 THIENOPYRIDINES HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 505/4885EGLN1 1835/4885ITGB1 3132/4885

“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.