SCHEMBL4848153

SCHEMBL4848153

CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)[C@@H](CCCNC(=O)[C@H](CCCN)N(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
MAPT P10636 3/20 0.41
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
FOLH1 Q04609 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPOR P19235 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
SIRT3 Q9NTG7 2/20 0.37

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
SCHEMBL4848148 0.87 CPB1 (0.49) TPSAB1TPSD1TPSG1MAPTCPB1
SCHEMBL4857153 0.86 SIRT2 (0.47) TPSAB1MAPTCPB1CPB2SYK
SCHEMBL28477062 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1SYKMEN1
SCHEMBL28477064 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1SYKMEN1
SCHEMBL7451829 0.82 FOLH1 (0.47) TPSAB1TPSD1TPSG1MAPTCPB1
SCHEMBL21460905 0.82 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTL3MBTL1
SCHEMBL21460902 0.82 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTL3MBTL1
SCHEMBL4853178 0.82 TPSAB1 (0.47) TPSAB1TPSD1TPSG1MAPTCPB1
SCHEMBL7447529 0.81 TPSAB1 (0.50) TPSAB1TPSD1TPSG1MAPTCPB1
SCHEMBL1023604 0.81 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTCPB1

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-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC TPSAB1 3589/4885TPSD1 4342/4885TPSG1 4397/4885

“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.