SCHEMBL5142965

SCHEMBL5142965

CC(C)(C)OC(=O)N[C@H](CN1CCOCC1)C(=O)O.[KH]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CTSK P43235 7/20 0.44
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 5/20 0.40
CTSD P07339 1/20 0.40
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
CD274 Q9NZQ7 1/20 0.39
ACE P12821 1/20 0.39
PPARD Q03181 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
SCHEMBL5354771 0.99 ALDH1A1 (0.48) ALDH1A1CTSKCTSLCTSBUSP2
SCHEMBL4360723 0.99 ALDH1A1 (0.48) ALDH1A1CTSKCTSLCTSBUSP2
SCHEMBL20568411 0.86 CTSK (0.44) ALDH1A1CTSKCTSLCTSBUSP2
SCHEMBL20568413 0.86 CTSK (0.44) ALDH1A1CTSKCTSLCTSBUSP2
SCHEMBL2054692 0.86 CTSK (0.44) ALDH1A1CTSKCTSLCTSBUSP2
SCHEMBL5142788 0.86 CTSK (0.45) CTSKCTSLCTSBCTSSPPARA
SCHEMBL21994715 0.86 CTSK (0.43) CTSKCTSLCTSBCTSSPPARA
SCHEMBL26119172 0.86 CTSK (0.47) CTSKCTSLCTSBCTSSPPARA
SCHEMBL21994717 0.86 CTSK (0.43) CTSKCTSLCTSBCTSSPPARA
SCHEMBL26119175 0.86 CTSK (0.47) CTSKCTSLCTSBCTSSPPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297706-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2007-11-20 US disclosed
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS WILEY MICHAEL R 2007-03-29 US disclosed
US-7078415-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2006-07-18 US disclosed
EP-1455787-B1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS LILLY CO ELI (US) 2005-06-22 EP disclosed
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 US disclosed
EP-1455787-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049735-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-06-19 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 (2 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-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders F2, F11, SERPINC1 ALDH1A1 2007/4885CTSK 3754/4885CTSL 3420/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 ALDH1A1 2805/4885CTSK 4056/4885CTSL 3535/4885

“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.