SCHEMBL5059307

SCHEMBL5059307

CC(C)(C)OC(=O)NCC(O)CNCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
SYK P43405 1/20 0.47
AKT1 P31749 3/20 0.46
REN P00797 1/20 0.45
ATM Q13315 1/20 0.44
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
IDO1 P14902 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTGES O14684 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41

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
SCHEMBL22833183 0.85 CTSL (0.54) CTSLCTSBCTSSSYKAKT1
SCHEMBL1022590 0.82 CTSS (0.54) CTSLCTSBCTSSSYKAKT1
SCHEMBL31165465 0.82 ATM (0.63) SYKATMIDO1
SCHEMBL6244523 0.81 SYK (0.51) CTSLCTSBCTSSSYKAKT1
SCHEMBL24323548 0.79 SYK (0.50) CTSLCTSBCTSSSYKAKT1
SCHEMBL31236564 0.79 SYK (0.65) CTSLCTSBCTSSSYKATM
SCHEMBL1024058 0.78 SYK (0.45) CTSLCTSBCTSSSYKAKT1
SCHEMBL31236485 0.78 SYK (0.58) SYKIDO1
SCHEMBL6276983 0.78 CTSS (0.45) CTSLCTSBCTSSSYKAKT1
SCHEMBL1024013 0.78 SIGMAR1 (0.49) CTSLCTSBCTSSAKT1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSL 170/4885CTSB 151/4885CTSS 140/4885

“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.