SCHEMBL8292011

SCHEMBL8292011

CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.54
▸ CASP3 P42574 2/20 0.47
▸ CTSB P07858 2/20 0.45
▸ CTSK P43235 1/20 0.45
▸ GRB2 P62993 1/20 0.44
▸ TLR2 O60603 2/20 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
SCHEMBL31597661 0.89 PTPN1 (0.54) PTPN1CASP3CTSBCTSKGRB2
SCHEMBL29872083 0.85 PTPN1 (0.60) PTPN1GRB2TLR2
SCHEMBL24221105 0.84 PTPN1 (0.60) PTPN1GRB2
SCHEMBL29355030 0.84 PTPN1 (0.60) PTPN1GRB2
SCHEMBL29417902 0.84 CASP3 (0.62) PTPN1CASP3CTSBCTSK
SCHEMBL30718910 0.84 TLR2 (0.49) PTPN1CASP3TLR2
SCHEMBL15593373 0.81 TLR2 (0.51) PTPN1CASP3TLR2
SCHEMBL29706214 0.81 TLR2 (0.51) PTPN1CASP3TLR2
SCHEMBL29380298 0.81 KMT2A (0.49) PTPN1CASP3TLR2
SCHEMBL30771372 0.81 PTPN1 (0.58) PTPN1CASP3GRB2

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
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 — — US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 — — US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 — — WO 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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP PTPN1 484/4885CASP3 424/4885CTSB 91/4885

“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.

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