SCHEMBL3742008

SCHEMBL3742008

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSL P07711 1/20 0.35
MAPK1 P28482 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
SCHEMBL3740274 0.82 CTSK (0.41) CTSSCTSKKMT2AL3MBTL1MMP13
SCHEMBL3751575 0.81 MMP13 (0.41) CHRM1AAK1KMT2AL3MBTL1MMP13
SCHEMBL3743349 0.80 SMN1; SMN2 (0.42) CTSSCTSKNPSR1AAK1MAPT
SCHEMBL3738589 0.80 ELOVL6 (0.50) AAK1MMP13MMP1KDM4EALDH1A1
SCHEMBL3744310 0.79 CHRM2 (0.55) CTSSCTSKCHRM1AAK1KMT2A
SCHEMBL3753926 0.79 MMP13 (0.42) AAK1KMT2AL3MBTL1MMP13MMP1
SCHEMBL3745735 0.78 BCL2 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL11902313 0.77 CTSL (0.51) CTSSMAPTKMT2AL3MBTL1CTSL
SCHEMBL3744739 0.77 KDM1A (0.42) CTSSCTSKAAK1ALDH1A1
SCHEMBL6880634 0.77 CTSL (0.51) CTSSMAPTKMT2AL3MBTL1CTSL

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 CTSS 957/4885CTSK 878/4885NPSR1 3181/4885

“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.