SCHEMBL5142544

SCHEMBL5142544

CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CALCRL Q16602 1/20 0.43
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
UBE2N P61088 1/20 0.39
KLK7 P49862 1/20 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
SCHEMBL5144894 0.88 TSHR (0.64) TSHRPOLBKMT2AMEN1CTSS
SCHEMBL5891355 0.86 ITGB3 (0.47) TSHRKMT2ACALCRLITGB3ITGA2B
SCHEMBL5142485 0.86 CALCRL (0.46) TSHRKMT2AMEN1CALCRLITGB3
SCHEMBL5891360 0.85 CALCRL (0.43) TSHRKMT2ACALCRLITGB3ITGA2B
SCHEMBL5891166 0.84 CTSS (0.46) TSHRKMT2ACTSSCTSKCALCRL
SCHEMBL4677918 0.84 MAPK1 (0.52) TSHRKMT2AMEN1CTSSCTSK
SCHEMBL5891753 0.83 CALCRL (0.48) TSHRKMT2AMEN1CALCRLITGB3
SCHEMBL5414325 0.82 TSHR (0.64) TSHRPOLBKMT2AMEN1CTSS
SCHEMBL5891240 0.81 CTSS (0.51) TSHRKMT2ACTSSCTSKCALCRL
SCHEMBL5141586 0.81 CALCRL (0.49) TSHRKMT2ACTSSCTSKCALCRL

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 TSHR 1725/4885POLB 4287/4885KMT2A 1991/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 TSHR 1266/4885POLB 4361/4885KMT2A 1860/4885

“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.