SCHEMBL6898948

SCHEMBL6898948

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@@H](C)C(=O)N(C)CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
SRC P12931 1/20 0.33
CASR P41180 1/20 0.32
PSEN1 P49768 5/20 0.31
PSEN2 P49810 5/20 0.31
APH1B Q8WW43 5/20 0.31
NCSTN Q92542 5/20 0.31
APH1A Q96BI3 5/20 0.31
PSENEN Q9NZ42 5/20 0.31

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
SCHEMBL27538279 1.00 SIGMAR1 (0.35) SIGMAR1SRCCASRPSEN1PSEN2
SCHEMBL6895012 0.89 CASR (0.33) SRCCASR
SCHEMBL27543525 0.85 LTA4H (0.39) CASR
SCHEMBL6896738 0.85 LTA4H (0.39) CASR
SCHEMBL27559923 0.85 LTA4H (0.39) CASR
SCHEMBL6894617 0.85 LTA4H (0.39) CASR
SCHEMBL6890761 0.85 LTA4H (0.39) CASR
SCHEMBL6896654 0.85 PKM (0.40) SIGMAR1CASR
SCHEMBL27562645 0.85 PKM (0.40) SIGMAR1CASR
SCHEMBL6896637 0.84 LTA4H (0.37) CASR

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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 SIGMAR1 26/4885SRC 2906/4885CASR 2206/4885

“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.