SCHEMBL6896598

SCHEMBL6896598

C[C@H](NC(=O)N(CCO)CCC1CCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
MCHR1 Q99705 4/20 0.37
CASR P41180 1/20 0.35
MME P08473 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR1 Q92633 2/20 0.32
KDM5A P29375 3/20 0.31
PHF8 Q9UPP1 3/20 0.31
KDM2A Q9Y2K7 3/20 0.31
KDM4C Q9H3R0 2/20 0.31
METAP2 P50579 1/20 0.31
TP53 P04637 1/20 0.31
KDM4A O75164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL6896957 0.99 LTA4H (0.40) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6897170 0.97 LTA4H (0.42) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6894998 0.97 LTA4H (0.42) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6897064 0.97 LTA4H (0.42) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6897260 0.96 MCHR1 (0.35) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6897605 0.89 LTA4H (0.41) LTA4HMCHR1CASRMMEPOLB
SCHEMBL27541778 0.83 METAP2 (0.35) MCHR1CASRHRH3METAP2
SCHEMBL6891339 0.83 LTA4H (0.35) LTA4HMCHR1CASRMMEHRH3
SCHEMBL27576389 0.83 LTA4H (0.35) LTA4HMCHR1CASRMMEHRH3
SCHEMBL6896637 0.82 LTA4H (0.37) LTA4HMCHR1CASRHRH3

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 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.