SCHEMBL5363846

SCHEMBL5363846

CC(C)C[C@@H](C=O)NC(=O)C(NS(=O)(=O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.66
MMP2 P08253 5/20 0.54
MMP13 P45452 5/20 0.54
MMP1 P03956 4/20 0.54
MMP3 P08254 4/20 0.54
MMP7 P09237 4/20 0.54
MMP9 P14780 4/20 0.54
ADAMTS4 O75173 2/20 0.46
MMP14 P50281 1/20 0.45
CTSB P07858 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL3904669 1.00 CAPN1 (0.66) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL6026500 1.00 CAPN1 (0.66) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3913553 1.00 CAPN1 (0.66) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL1907361 1.00 CAPN1 (0.66) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3917869 0.89 CAPN1 (0.54) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3905584 0.88 MMP2 (0.54) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3908110 0.84 MMP13 (0.53) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3906288 0.84 MMP1 (0.60) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL3913036 0.83 CAPN1 (0.48) CAPN1MMP2MMP13MMP1MMP3
SCHEMBL19831386 0.83 CAPN1 (0.48) CAPN1MMP2MMP13MMP1MMP3

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 4 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-20060183196-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof CHEN JIAN 2006-08-17 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 (2 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 CAPN1 2/4885MMP2 141/4885MMP13 472/4885
US-20060183196-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof CAPN9, CAPN1, CAPNS1 CAPN1 2/4885MMP2 302/4885MMP13 95/4885

“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.