SCHEMBL6898842

SCHEMBL6898842

CC(=O)SCCN(CCC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TACR2 P21452 2/20 0.40
BCL2A1 Q16548 2/20 0.40
BID P55957 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KIFC1 Q9BW19 1/20 0.39
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
FCER2 P06734 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.38

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
SCHEMBL6895814 0.90 CTSS (0.42) CTSSCTSKTACR2BCL2A1BID
SCHEMBL6895457 0.88 ITGA4 (0.41) BCL2A1BIDFCER2MMP1
SCHEMBL27538373 0.87 CYP3A4 (0.44) CTSSCTSKTACR2PSMB1PSMB5
SCHEMBL6889408 0.87 CYP3A4 (0.44) CTSSCTSKTACR2PSMB1PSMB5
SCHEMBL6898910 0.87 MMP1 (0.46) MMEACEFCER2MMP1MMP8
SCHEMBL6899419 0.87 KIFC1 (0.45) CTSSCTSKMMEACEL3MBTL1
SCHEMBL6898419 0.86 OPRM1 (0.44) KIFC1MMP8
SCHEMBL27543400 0.86 MME (0.53) MMEACEL3MBTL1
SCHEMBL6897078 0.86 MME (0.53) MMEACEL3MBTL1
SCHEMBL6898809 0.85 MME (0.46) MMEACEL3MBTL1MMP8

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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH CTSS 625/4885CTSK 1877/4885TACR2 94/4885

“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.