SCHEMBL7169944

SCHEMBL7169944

O=C(NCCC[C@H]1Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)cc2NC1=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
TDO2 P48775 2/20 0.48
ITGB3 P05106 13/20 0.47
ITGA2B P08514 10/20 0.47
ITGAV P06756 4/20 0.46
PTGER4 P35408 1/20 0.44
FOLH1 Q04609 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43

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
SCHEMBL7164999 0.95 IDO1 (0.44) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7169155 0.94 ITGB3 (0.46) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7163759 0.94 IDO1 (0.42) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7163527 0.93 MAPT (0.46) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7163641 0.93 IDO1 (0.45) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7364118 0.92 ALOX15 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7163742 0.91 ITGB3 (0.54) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7163731 0.90 ITGB3 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7164959 0.90 MMP2 (0.51) IDO1TDO2ITGB3ITGA2BPTGER4
SCHEMBL7159717 0.89 IDO1 (0.46) IDO1TDO2FOLH1

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-6559144-B2 Integrin inhibitors used to treat circulatory disorders, for thrombosis, myocardial infarct, coronary heart disease, arteriosclerosis, osteoporosis, pathological processes maintained or propagated by angiogenesis and tumor therapy MERCK PATENT GESELLSCHAFT MIT (DE) 2003-05-06 US disclosed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 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-20010021709-A1 Bicyclic amino acids ITGA1, ITGB1, ITGB2 IDO1 1398/4885TDO2 3503/4885ITGB3 5/4885

“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.