SCHEMBL3742072

SCHEMBL3742072

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
MMP13 P45452 8/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
KMT2A Q03164 2/20 0.34
MMP1 P03956 4/20 0.33
MMP3 P08254 3/20 0.33
MMP7 P09237 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP2 P08253 2/20 0.33
ELANE P08246 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL3744310 0.82 CHRM2 (0.55) CTSSCTSKAAK1MMP13CHRM2
SCHEMBL3741594 0.81 MMP13 (0.41) AAK1MMP13MMP1MMP3MMP7
SCHEMBL3743401 0.80 CTSS (0.40) CTSSCTSKAAK1CHRM2CHRM1
SCHEMBL3743402 0.80 CTSS (0.38) CTSSCTSKAAK1CHRM2CHRM1
SCHEMBL3740274 0.80 CTSK (0.41) CTSSCTSKMMP13KMT2AMMP1
SCHEMBL3747940 0.79 GPR119 (0.43) MMP13MMP1MMP3MMP7MMP9
SCHEMBL895624 0.79 CHRM2 (0.39) CTSSCTSKAAK1MMP13CHRM2
SCHEMBL10026720 0.79 CHRM2 (0.39) CTSSCTSKAAK1MMP13CHRM2
SCHEMBL18467871 0.78 CA1 (0.39) CTSSCTSKAAK1BTKKMT2A
SCHEMBL1349095 0.78 AAK1 (0.48) CTSSCTSKAAK1BTKKMT2A

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 878/4885AAK1 1507/4885

“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.