SCHEMBL6897747

SCHEMBL6897747

CC(C)CCN(CCO)C(=O)N[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.44
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
MME P08473 2/20 0.40
LTA4H P09960 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CTSK P43235 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL27559995 1.00 CPB2 (0.44) CPB2GRNSORT1MMELTA4H
SCHEMBL27559967 0.88 CPB2 (0.41) CPB2LTA4HCTSKPSEN1PSEN2
SCHEMBL6898595 0.88 CPB2 (0.41) CPB2LTA4HCTSKPSEN1PSEN2
SCHEMBL27560039 0.79 ALDH1A1 (0.49) GRNSORT1MME
SCHEMBL6894914 0.79 ALDH1A1 (0.49) GRNSORT1MME
SCHEMBL6897064 0.74 LTA4H (0.42) MMELTA4HCTSK
SCHEMBL6894998 0.74 LTA4H (0.42) MMELTA4HCTSK
SCHEMBL6897170 0.74 LTA4H (0.42) MMELTA4HCTSK
SCHEMBL27560051 0.74 CPB2 (0.38) CPB2CTSKPSEN1PSEN2APH1B
SCHEMBL6897383 0.74 CPB2 (0.38) CPB2CTSKPSEN1PSEN2APH1B

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 CPB2 2264/4885GRN 1445/4885SORT1 4476/4885

“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.