SCHEMBL4156032

SCHEMBL4156032

N[C@H](CCC(=O)N1CCOCC1)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CASR P41180 1/20 0.45
FKBP1A P62942 2/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PIN1 Q13526 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
SCHEMBL27734662 1.00 DPP4 (0.52) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL4145023 1.00 DPP4 (0.52) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL2236922 0.86 ALOX15 (0.50) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL14254554 0.86 DPP4 (0.46) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL2236916 0.86 ALOX15 (0.50) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL13687942 0.86 DPP4 (0.46) DPP4DPP8TSHRL3MBTL1ALOX15
Hydrochloric Acid SCHEMBL4017915 0.85 DPP4 (0.46) DPP4DPP8TSHRL3MBTL1ALOX15
Hydrochloric Acid SCHEMBL4017917 0.85 DPP4 (0.46) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL6824021 0.82 DPP7 (0.56) DPP4DPP8TSHRL3MBTL1ALOX15
SCHEMBL4140588 0.82 TSHR (0.48) DPP4DPP8TSHRL3MBTL1ALOX15

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-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
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 DPP4 3051/4885DPP8 2191/4885TSHR 3421/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 DPP4 3051/4885DPP8 2191/4885TSHR 3421/4885

“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.