SCHEMBL5023976

SCHEMBL5023976

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCKBR P32239 2/20 0.40
ACE P12821 2/20 0.39
MME P08473 1/20 0.39
MAPT P10636 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
SCHEMBL5026289 1.00 ITGB3 (0.42) ITGB3ITGAVMEN1KMT2ACCKBR
SCHEMBL5025707 1.00 ITGB3 (0.42) ITGB3ITGAVMEN1KMT2ACCKBR
SCHEMBL5026398 0.85 PTGDR2 (0.39) ITGB3ITGAVCCKBR
SCHEMBL5025489 0.82 MTNR1B (0.38) ITGB3ITGAVMEN1KMT2ACCKBR
SCHEMBL5029834 0.81 ITGB3 (0.50) ITGB3ITGAVMEN1KMT2AACE
SCHEMBL5023977 0.81 MEN1 (0.34) MEN1KMT2ACCKBRACEMME
SCHEMBL5025674 0.80 ITGB3 (0.36) ITGB3ITGAVCCKBRMAPTSMN1; SMN2
SCHEMBL5025671 0.79 P2RY2 (0.40) ITGB3ITGAVCCKBRMAPTSMN1; SMN2
SCHEMBL5030005 0.77 ITGB3 (0.34) ITGB3ITGAVCCKBRMAPTSMN1; SMN2
SCHEMBL5030000 0.77 CCKBR (0.33) ITGB3ITGAVCCKBRMAPTSMN1; SMN2

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 ITGB3 1/4885ITGAV 2/4885MEN1 4463/4885

“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.