SCHEMBL6897391

SCHEMBL6897391

CCOC(=O)C[C@@H](CSc1ccccc1)N(CCC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 17/20 0.47
ACE P12821 15/20 0.47
ACE2 Q9BYF1 12/20 0.44
CPA1 P15085 11/20 0.44
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL6897389 1.00 MME (0.47) MMEACEACE2CPA1ITGB3
SCHEMBL6899397 0.89 L3MBTL1 (0.40) MMEACEACE2CPA1
SCHEMBL6899389 0.89 L3MBTL1 (0.40) MMEACEACE2CPA1
SCHEMBL7674564 0.81 MME (0.52) MMEACEACE2CPA1ITGB3
SCHEMBL6895067 0.79 L3MBTL1 (0.43) MMEACEACE2CPA1
SCHEMBL6895064 0.79 L3MBTL1 (0.43) MMEACEACE2CPA1
SCHEMBL6895453 0.77 MMP2 (0.47)
SCHEMBL6895445 0.77 MMP2 (0.47)
SCHEMBL6898184 0.77 L3MBTL1 (0.41) MMEACEACE2CPA1
SCHEMBL6898179 0.77 L3MBTL1 (0.41) MMEACEACE2CPA1

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 MME 1516/4885ACE 1063/4885ACE2 1466/4885

“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.