SCHEMBL5366694

SCHEMBL5366694

CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MME P08473 2/20 0.43
CAPN1 P07384 1/20 0.42
MMP8 P22894 4/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
ANPEP P15144 1/20 0.40

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
SCHEMBL4968073 0.85 MME (0.59) CTSLMMP1MMP3MMEMMP8
SCHEMBL17596164 0.79 CAPN1 (0.46) MMP1MMP3MMECAPN1MMP8
SCHEMBL20741006 0.78 CTSK (0.48) CTSLMMP1MMP3MMEMMP8
SCHEMBL20741008 0.78 CTSK (0.48) CTSLMMP1MMP3MMEMMP8
SCHEMBL29792845 0.76 CTSK (0.68) CTSLCAPN1
SCHEMBL25259821 0.76 PSMB1 (0.49) CTSLMMP1MMP3MMECAPN1
SCHEMBL20603581 0.76 PSMB5 (0.50) MMP1MMP3MMEMMP8MMP2
SCHEMBL30450002 0.76 PSMB1 (0.49) CTSLMMP1MMP3MMECAPN1
SCHEMBL6465336 0.76 PSMB1 (0.49) CTSLMMP1MMP3MMECAPN1
SCHEMBL5712419 0.75 CAPN1 (0.54) CTSLMMP1MMP3CAPN1MMP8

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-7186564-B2 Polynucleotides encoding novel cysteine proteases of the calpain superfamily, CAN-12v1 and CAN-12v2. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-06 US disclosed
US-20040014093-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, Protease-42 BRISTOL-MYERS SQUIBB COMPANY 2004-01-22 US disclosed
US-20030114373-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 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-20040014093-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, Protease-42 CAPNS1, CAPN1, CAPN2 CTSL 34/4885MMP1 661/4885MMP3 145/4885

“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.