SCHEMBL4145020

SCHEMBL4145020

NC(=O)[C@@H]1COCCN1C(=O)CC[CH]C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FKBP1A P62942 2/20 0.32
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
GLA P06280 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL4156027 1.00 L3MBTL1 (0.36) L3MBTL1CA12CA1CA2CA9
SCHEMBL4140585 0.87 L3MBTL1 (0.37) L3MBTL1CA12CA1CA2CA9
SCHEMBL15123879 0.75 ALDH1A1 (0.40) L3MBTL1FKBP1ASMN1; SMN2LMNAKDM4E
SCHEMBL4087862 0.74 CA12 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL4163105 0.74 CA12 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL28310283 0.70 CA12 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL29540064 0.70 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL29022309 0.69 CA12 (0.44) CA12CA1CA2CA9FKBP1A
SCHEMBL1150296 0.69 CA12 (0.44) CA12CA1CA2CA9FKBP1A
SCHEMBL7954276 0.67 KDM4E (0.39) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 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-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 L3MBTL1 2000/4885CA12 4861/4885CA1 4648/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 L3MBTL1 2000/4885CA12 4861/4885CA1 4648/4885

“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.