SCHEMBL6895655

SCHEMBL6895655

CN(CCO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
LMNA P02545 1/20 0.53
MME P08473 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
PTPN1 P18031 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
ACE P12821 5/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL7336421 0.85 TACR1 (0.53) ITGA4ITGB7ACE
SCHEMBL7271561 0.85 ACE (0.50) LMNAMMEL3MBTL1NPSR1CA12
SCHEMBL27559895 0.83 HCRTR1 (0.52) ITGA4ITGB7NPSR1ACE
SCHEMBL27559891 0.83 HCRTR1 (0.52) ITGA4ITGB7NPSR1ACE
SCHEMBL16195620 0.83 MME (0.58) LMNAMMEL3MBTL1NPSR1PTPN1
SCHEMBL6891310 0.83 L3MBTL1 (0.46) LMNAMMEL3MBTL1NPSR1CA12
SCHEMBL27541800 0.83 L3MBTL1 (0.46) LMNAMMEL3MBTL1NPSR1CA12
SCHEMBL7273085 0.82 CA12 (0.52) LMNAMMEL3MBTL1NPSR1CA12
SCHEMBL8033727 0.82 MME (0.62) MMEL3MBTL1NPSR1PTPN1NAALAD2
SCHEMBL8033733 0.82 MME (0.62) MMEL3MBTL1NPSR1PTPN1NAALAD2

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
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed
EP-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 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 ITGA4 4185/4885ITGB7 3803/4885LMNA 4204/4885

“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.