SCHEMBL1024013

SCHEMBL1024013

CC(C)(C)OC(=O)NCCNC(=O)CCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
AKT1 P31749 3/20 0.48
IDO1 P14902 1/20 0.48
CYP3A4 P08684 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC6 Q9UBN7 3/20 0.43
MALT1 Q9UDY8 1/20 0.43

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 0.89 CTSL (0.54) SIGMAR1CTSLCTSBCTSSAKT1
SCHEMBL4847703 0.84 SYK (0.47) SIGMAR1CTSLCTSBCTSSAKT1
SCHEMBL4847719 0.84 SYK (0.47) SIGMAR1CTSLCTSBCTSSAKT1
SCHEMBL26384487 0.82 SIGMAR1 (0.61) SIGMAR1CYP3A4HDAC1HDAC3HDAC2
SCHEMBL4727587 0.81 SIGMAR1 (0.60) SIGMAR1CYP3A4HDAC1HDAC3HDAC2
SCHEMBL1024135 0.81 CTSS (0.41) SIGMAR1CTSLCTSBCTSSAKT1
SCHEMBL1021128 0.80 SIRT5 (0.45) CTSLCTSBCTSSAKT1IDO1
SCHEMBL20506777 0.79 AKT1 (0.58) SIGMAR1CTSLCTSBCTSSAKT1
SCHEMBL30533353 0.79 SYK (0.51) SIGMAR1AKT1IDO1CYP3A4CKS1B
SCHEMBL25048413 0.78 CA1 (0.60) SIGMAR1IDO1HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
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 SIGMAR1 2317/4885CTSL 99/4885CTSB 75/4885

“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.