SCHEMBL4654777

SCHEMBL4654777

COC(=O)C(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCCOCCOCCOCCCNC(=O)OCc2ccccc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SYK P43405 1/20 0.40
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ADAM10 O14672 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL14271433 1.00 MAPT (0.40) MAPTSYKKLK7KLK5SMN1; SMN2
SCHEMBL4955666 0.95 MMP2 (0.42) MAPTSYKKLK7KLK5SMN1; SMN2
SCHEMBL8313513 0.95 SYK (0.42) MAPTSYKKLK7KLK5MMP2
SCHEMBL26463144 0.95 SYK (0.42) MAPTSYKKLK7KLK5MMP2
SCHEMBL4381805 0.90 MMP2 (0.43) MAPTSYKKLK7KLK5MMP2
SCHEMBL27608126 0.90 MMP2 (0.43) MAPTSYKKLK7KLK5MMP2
SCHEMBL7676093 0.89 SMN1; SMN2 (0.34) MAPTSYKSMN1; SMN2L3MBTL1MEN1
SCHEMBL4653743 0.89 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MMP2MMP9L3MBTL1
SCHEMBL14271452 0.89 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MMP2MMP9L3MBTL1
SCHEMBL12372083 0.85 MMP2 (0.42) MAPTSMN1; SMN2MMP2MMP9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 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-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MAPT 4562/4885SYK 1455/4885KLK7 2283/4885

“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.