SCHEMBL7160796

SCHEMBL7160796

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
ITGAV P06756 1/20 0.45
CHRM2 P08172 1/20 0.45
SLC6A4 P31645 1/20 0.45
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7366599 0.89 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7168506 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7169150 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAVUSP2GAA
SCHEMBL7159785 0.85 ITGB3 (0.42) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7160807 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13191086 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7163734 0.83 ITGB3 (0.43) ITGB3ITGA2BITGAVHSD17B10TP53
SCHEMBL7370460 0.83 ITGB3 (0.43) ITGB3ITGA2BITGAVHSD17B10TP53
SCHEMBL7165857 0.82 MMP2 (0.47) ITGB3ITGA2BUSP2GAAHSD17B10
SCHEMBL7163736 0.82 TDP1 (0.53) ITGB3ITGA2BUSP2GAAHSD17B10

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 ITGB3 5/4885ITGA2B 14/4885ITGAV 15/4885

“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.