SCHEMBL3963009

SCHEMBL3963009

CC(C)(C)OC(=O)N[C@@H](CCCOS(C)(=O)=O)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.45
CTSS P25774 5/20 0.43
P2RY2 P41231 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 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
SCHEMBL13767417 0.91 CTSK (0.43) CTSKCTSSP2RY2TDP1ATM
SCHEMBL12677049 0.90 CTSK (0.39) CTSKCTSSTDP1ATMHDAC4
SCHEMBL15025658 0.90 CTSK (0.39) CTSKCTSSTDP1ATMHDAC4
SCHEMBL12676816 0.90 CTSK (0.39) CTSKCTSSTDP1ATMHDAC4
SCHEMBL12676783 0.90 CTSK (0.39) CTSKCTSSTDP1ATMHDAC4
SCHEMBL1891606 0.90 CTSK (0.39) CTSKCTSSTDP1ATMHDAC4
SCHEMBL27745849 0.89 CTSK (0.43) CTSKCTSSTDP1ATMHDAC4
SCHEMBL27745851 0.89 CTSK (0.43) CTSKCTSSTDP1ATMHDAC4
SCHEMBL16001108 0.89 CTSK (0.45) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL5063537 0.89 ALDH1A1 (0.47) CTSKCTSSHDAC4HDAC1HDAC6

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 CTSK 184/4885CTSS 140/4885P2RY2 4073/4885

“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.