SCHEMBL5030005

SCHEMBL5030005

CCc1sc(CN2C(=O)CCC(CC(=O)OC(C)(C)C)c3ccccc32)nc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCKBR P32239 2/20 0.32
HTR6 P50406 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC8A1 P32418 1/20 0.30

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
SCHEMBL5025671 0.82 P2RY2 (0.40) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5025674 0.81 ITGB3 (0.36) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5030002 0.78 CASP3 (0.39) ITGB3ITGAVMAPTSMN1; SMN2
SCHEMBL5023976 0.77 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5025707 0.77 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5026289 0.77 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5030000 0.71 CCKBR (0.33) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5139032 0.69
SCHEMBL5026398 0.65 PTGDR2 (0.39) ITGB3ITGAVCCKBR
SCHEMBL19984920 0.65 MTNR1A (0.47) HTR6

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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885MAPT 4479/4885

“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.