SCHEMBL3961276

SCHEMBL3961276

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.53
PRCP P42785 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CMA1 P23946 2/20 0.51
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSL P07711 1/20 0.46

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
SCHEMBL7342500 0.86 PRCP (0.68) CTRB1PRCPITGB3ITGA2BKMT2A
SCHEMBL22127840 0.86 ITGB3 (0.54) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22127953 0.86 ITGB3 (0.54) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22127842 0.86 ITGB3 (0.54) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL10909410 0.86 ITGB3 (0.56) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL10791840 0.84 ITGB3 (0.53) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22128002 0.84 ITGB3 (0.57) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22128003 0.84 ITGB3 (0.57) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22128005 0.84 ITGB3 (0.57) CTRB1PRCPITGB3ITGA2BCMA1
SCHEMBL22127939 0.84 ITGB3 (0.48) CTRB1PRCPITGB3ITGA2BCMA1

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
EP-1866291-B1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO KG (DE) 2009-07-15 EP disclosed
US-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 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-20080300231-A1 Antibacterial amide macrocycles VI AADAC, AAAS, NOD2 CTRB1 731/4885PRCP 1420/4885ITGB3 4166/4885

“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.