SCHEMBL3751310

SCHEMBL3751310

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.42
SLC6A4 P31645 1/20 0.39
CPB2 Q96IY4 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL3747940 0.91 GPR119 (0.43) GPR119SLC6A4
SCHEMBL13045249 0.82 AAK1 (0.34) GPR119SLC6A4AAK1
SCHEMBL3751560 0.76 STS (0.48)
SCHEMBL3752853 0.76 ALDH1A1 (0.39) AAK1
SCHEMBL3742666 0.75 AR (0.43) GPR119AAK1
SCHEMBL8079018 0.75 CHRM1 (0.54) GPR119AAK1
SCHEMBL3743376 0.73 KMT2A (0.38) AAK1
SCHEMBL13045267 0.72 RET (0.38) AAK1
SCHEMBL3742838 0.72 RET (0.45) GPR119AAK1
SCHEMBL10026719 0.72 CHRM2 (0.38) 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 2 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 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 GPR119 48/4885SLC6A4 201/4885CPB2 141/4885

“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.