SCHEMBL5030002

SCHEMBL5030002

CCOC(=O)c1csc(CN2C(=O)CCC(CC(=O)OC(C)(C)C)c3ccccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MMP13 P45452 3/20 0.35
MMP1 P03956 1/20 0.35
KMT2A Q03164 2/20 0.34
ABCB1 P08183 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5025671 0.90 P2RY2 (0.40) MAPTSMN1; SMN2MMP13MMP1ITGB3
SCHEMBL5025674 0.84 ITGB3 (0.36) MAPTSMN1; SMN2ITGB3ITGAV
SCHEMBL5030005 0.78 ITGB3 (0.34) MAPTSMN1; SMN2ITGB3ITGAV
SCHEMBL5025707 0.75 ITGB3 (0.42) MAPTSMN1; SMN2KMT2AITGB3ITGAV
SCHEMBL5023976 0.75 ITGB3 (0.42) MAPTSMN1; SMN2KMT2AITGB3ITGAV
SCHEMBL5026289 0.75 ITGB3 (0.42) MAPTSMN1; SMN2KMT2AITGB3ITGAV
SCHEMBL5879715 0.71 NPC1 (0.39) CASP3CASP7CASP8NPC1RAB9A
SCHEMBL5879502 0.71 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL5139029 0.70 POLB (0.36) CASP3CASP7CASP8NPC1RAB9A
SCHEMBL5030000 0.68 CCKBR (0.33) MAPTSMN1; SMN2ITGB3ITGAV

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 CASP3 2234/4885CASP7 3153/4885CASP8 2879/4885

“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.