SCHEMBL7159785

SCHEMBL7159785

CCCCS(=O)(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ncc[nH]1)O2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ITGAV P06756 1/20 0.40
CHRM2 P08172 1/20 0.40
SLC6A4 P31645 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7165010 0.93 ITGB3 (0.41) ITGB3ITGA2BTSHRTHRBITGAV
SCHEMBL7478535 0.91 THRB (0.40) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7164935 0.88 THRB (0.41) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7159639 0.86 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL4685454 0.86 ITGB3 (0.36) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7163734 0.86 ITGB3 (0.43) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7370460 0.86 ITGB3 (0.43) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7163732 0.86 TSHR (0.41) ITGB3ITGA2BTSHRMEN1KMT2A
SCHEMBL7167733 0.85 TSHR (0.49) TSHRMEN1KMT2ATHRBHSD17B10
SCHEMBL7160796 0.85 ITGB3 (0.48) ITGB3ITGA2BTSHRTHRBITGAV

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 5 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
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 US disclosed
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 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 (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 ITGB3 5/4885ITGA2B 14/4885TSHR 622/4885

“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.