SCHEMBL27406331

SCHEMBL27406331

COC(=O)[C@@H](CO[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PDE4B Q07343 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
CTSL P07711 3/20 0.46
CACNA1B Q00975 4/20 0.46
YAP1 P46937 1/20 0.45
HTT P42858 1/20 0.45
ACE P12821 1/20 0.45
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
SYK P43405 1/20 0.44
PPARA Q07869 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL31646670 0.91 KLK7 (0.50) ITGB3ITGA2BPDE4BKLK7KLK5
SCHEMBL28610469 0.89 HTT (0.52) ITGB3ITGA2BPDE4BKLK7KLK5
SCHEMBL27406338 0.83 PDE4B (0.43) PDE4BCTSLHTTCTSKCTSS
SCHEMBL28743990 0.83 YAP1 (0.49) PRMT5WDR77KLK7KLK5CTSL
SCHEMBL20158205 0.83 YAP1 (0.49) PRMT5WDR77KLK7KLK5CTSL
SCHEMBL31646594 0.83 PPARA (0.48) ITGB3ITGA2BPDE4BKLK7KLK5
SCHEMBL28610465 0.83 PPARA (0.55) ITGB3ITGA2BPRMT5WDR77KLK7
SCHEMBL28610466 0.83 PPARA (0.55) ITGB3ITGA2BPRMT5WDR77KLK7
SCHEMBL22433813 0.82 YAP1 (0.56) PRMT5WDR77CTSLYAP1HTT
SCHEMBL12025747 0.82 YAP1 (0.57) ITGB3ITGA2BCTSLYAP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV ITGB3 10/4885ITGA2B 9/4885PDE4B 1596/4885

“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.