SCHEMBL3743349

SCHEMBL3743349

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.39
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CHRNA7 P36544 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL11902313 0.81 CTSL (0.51) KMT2AL3MBTL1CTSLCTSSMAPK1
SCHEMBL6880634 0.81 CTSL (0.51) KMT2AL3MBTL1CTSLCTSSMAPK1
SCHEMBL3742008 0.80 CTSS (0.42) SMN1; SMN2KMT2AL3MBTL1CTSLNPSR1
SCHEMBL3751575 0.79 MMP13 (0.41) KMT2AL3MBTL1AAK1KDM4E
SCHEMBL3744310 0.79 CHRM2 (0.55) KMT2ACTSSCTSKAAK1
SCHEMBL3753926 0.79 MMP13 (0.42) KMT2AL3MBTL1CTSLAAK1PPARA
SCHEMBL3745735 0.78 BCL2 (0.45) SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL3738589 0.78 ELOVL6 (0.50) AAK1KDM4EMAPK1ALDH1A1PPARA
SCHEMBL3744739 0.77 KDM1A (0.42) CTSSCTSKAAK1ALDH1A1
SCHEMBL3736510 0.77 MGLL (0.39) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 SMN1; SMN2 3321/4885NPC1 1434/4885RAB9A 3124/4885

“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.