SCHEMBL6359653

SCHEMBL6359653

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
DPP4 P27487 7/20 0.53
DPP7 Q9UHL4 7/20 0.53
KCNH2 Q12809 4/20 0.53
CTSL P07711 1/20 0.51
SYK P43405 1/20 0.49
EPHX1 P07099 1/20 0.48
PPARA Q07869 2/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
PPARG P37231 1/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL6359651 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL22687091 0.88 CTSL (0.57) CTSLSYKPPARAKMT2AL3MBTL1
SCHEMBL22687090 0.88 CTSL (0.57) CTSLSYKPPARAKMT2AL3MBTL1
SCHEMBL6153463 0.86 ALDH1A1 (0.69) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3944460 0.86 ALDH1A1 (0.69) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3944464 0.86 ALDH1A1 (0.69) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL6360121 0.86 CTSL (0.45) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL6360124 0.86 CTSL (0.45) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL6360125 0.86 CTSL (0.45) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL8234039 0.84 CTSL (0.59) ALDH1A1GAACTSLSYKEPHX1

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
WO-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 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-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI ALDH1A1 247/4885GAA 373/4885TSHR 326/4885

“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.