SCHEMBL6100302

SCHEMBL6100302

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCSC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.53
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
TSHR P16473 1/20 0.42
DPP7 Q9UHL4 4/20 0.39
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38

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
SCHEMBL6100308 0.89 PREP (0.52) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL6872889 0.88 PREP (0.55) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL5351068 0.85 PREP (0.57) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL27586353 0.85 PREP (0.57) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL4913602 0.85 DPP7 (0.54) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL4906556 0.84 ITGB3 (0.56) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL10074274 0.84 ITGB3 (0.56) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL4913612 0.83 PREP (0.50) PREPITGB3ITGA2BTSHRDPP7
SCHEMBL23326163 0.81 ITGB3 (0.48) ITGB3ITGA2BTSHR
SCHEMBL23326162 0.81 ITGB3 (0.48) ITGB3ITGA2BTSHR

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-7144886-B2 Dipeptidyl peptidase IV (DP-IV) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2006-12-05 US disclosed
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2005-01-06 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-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents DPP4, DPP8, DPP3 PREP 30/4885ITGB3 2464/4885ITGA2B 4255/4885

“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.