SCHEMBL6890431

SCHEMBL6890431

CSCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.52
MME P08473 4/20 0.48
ACE P12821 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6896981 0.88 LPAR1 (0.50) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL27538252 0.88 LPAR1 (0.50) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL6894862 0.85 LPAR1 (0.50) LPAR1MMEACELTA4HKMT2A
SCHEMBL6890769 0.85 LPAR1 (0.47) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL6895388 0.85 LPAR1 (0.53) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL6891317 0.85 LPAR1 (0.53) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL27538262 0.85 LPAR1 (0.53) LPAR1MMEACEL3MBTL1LMNA
SCHEMBL6899205 0.84 LPAR1 (0.52) LPAR1MMEACENPSR1
SCHEMBL27538610 0.84 LPAR1 (0.52) LPAR1MMEACENPSR1
SCHEMBL6895131 0.83 LTA4H (0.48) LTA4HCA12CA1CA9NPSR1

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 LPAR1 4229/4885MME 1516/4885ACE 1063/4885

“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.