SCHEMBL6891339

SCHEMBL6891339

CC(=O)SCCN(CCC1CCC1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
MCHR1 Q99705 3/20 0.34
CASR P41180 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
ACE P12821 1/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL27576389 1.00 LTA4H (0.35) LTA4HMCHR1CASRHRH3ACE
SCHEMBL6896637 0.99 LTA4H (0.37) LTA4HMCHR1CASRHRH3
SCHEMBL27538392 0.99 LTA4H (0.37) LTA4HMCHR1CASRHRH3
SCHEMBL6890761 0.98 LTA4H (0.39) LTA4HMCHR1CASR
SCHEMBL27543525 0.98 LTA4H (0.39) LTA4HMCHR1CASR
SCHEMBL6896738 0.98 LTA4H (0.39) LTA4HMCHR1CASR
SCHEMBL27559923 0.98 LTA4H (0.39) LTA4HMCHR1CASR
SCHEMBL6894617 0.98 LTA4H (0.39) LTA4HMCHR1CASR
SCHEMBL6891022 0.96 MCHR1 (0.33) LTA4HMCHR1
SCHEMBL27538287 0.96 MCHR1 (0.33) LTA4HMCHR1

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 5 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
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 LTA4H 411/4885MCHR1 1236/4885CASR 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.