SCHEMBL5025671

SCHEMBL5025671

CC(C)(C)OC(=O)CC1CCC(=O)N(Cc2nc(C(=O)O)cs2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 3/20 0.40
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
PTGER1 P34995 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CCKBR P32239 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL5030002 0.90 CASP3 (0.39) ITGB3ITGAVMAPTSMN1; SMN2MMP1
SCHEMBL5025674 0.88 ITGB3 (0.36) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5030005 0.82 ITGB3 (0.34) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5879502 0.80 ITGB3 (0.41) P2RY2ITGB3ITGAV
SCHEMBL5026289 0.79 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5023976 0.79 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5025707 0.79 ITGB3 (0.42) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5030000 0.72 CCKBR (0.33) ITGB3ITGAVMAPTSMN1; SMN2CCKBR
SCHEMBL5879542 0.68 PTGER1 (0.37) P2RY2PTGER1MAPTSMN1; SMN2MMP1
SCHEMBL5026398 0.67 PTGDR2 (0.39) ITGB3ITGAVCCKBRPTGDR2

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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP 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 P2RY2 153/4885ITGB3 1/4885ITGAV 2/4885

“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.