SCHEMBL3740274

SCHEMBL3740274

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2S(=O)(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP13 P45452 4/20 0.38
MMP1 P03956 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL3742008 0.82 CTSS (0.42) CTSKCTSSKMT2AALDH1A1L3MBTL1
SCHEMBL3742072 0.80 CTSS (0.34) CTSKCTSSKMT2AL3MBTL1MMP13
SCHEMBL3741594 0.78 MMP13 (0.41) ALDH1A1MMP13MMP1
SCHEMBL3747940 0.74 GPR119 (0.43) MMP13MMP1
SCHEMBL3751575 0.73 MMP13 (0.41) KMT2AL3MBTL1MMP13ELOVL6GAA
SCHEMBL3744310 0.73 CHRM2 (0.55) CTSKCTSSKMT2AMMP13MMP1
SCHEMBL3738589 0.72 ELOVL6 (0.50) POLBALDH1A1MMP13MMP1ELOVL6
SCHEMBL3743349 0.72 SMN1; SMN2 (0.42) CTSKCTSSKMT2AALDH1A1L3MBTL1
SCHEMBL3738242 0.72 KMT2A (0.52) MEN1KMT2AL3MBTL1MMP13
SCHEMBL3753926 0.71 MMP13 (0.42) KMT2AL3MBTL1MMP13MMP1

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 6 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
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO 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 CTSK 878/4885CTSS 957/4885MEN1 4270/4885

“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.