SCHEMBL6889376

SCHEMBL6889376

COc1ccc(C[C@H](NC(=O)N(CCO)CCC(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.51
ACE P12821 6/20 0.51
KMT2A Q03164 1/20 0.48
FPR2 P25090 1/20 0.48
CA2 P00918 1/20 0.47
LDHA P00338 1/20 0.46
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
LPAR1 Q92633 1/20 0.44
MMP3 P08254 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL27541911 1.00 MME (0.51) MMEACEKMT2AFPR2CA2
SCHEMBL6898877 0.89 MMP1 (0.55) MMP3MMP1MMP2MMP9
SCHEMBL27570917 0.87 MME (0.58) MMEACELPAR1CPA1ACE2
SCHEMBL6897831 0.87 MME (0.58) MMEACELPAR1CPA1ACE2
SCHEMBL6898434 0.86 MME (0.67) MMEACECPA1ACE2
SCHEMBL6897944 0.86 KMT2A (0.61) MMEACEKMT2AFPR2CA2
SCHEMBL6897072 0.83 MME (0.49) MMEACEKMT2ACA2ITGA4
SCHEMBL27570936 0.83 MME (0.49) MMEACEKMT2ACA2ITGA4
SCHEMBL8032604 0.81 MME (0.77) MMEACEKMT2AFPR2CA2
SCHEMBL8032597 0.81 MME (0.77) MMEACEKMT2AFPR2CA2

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 MME 1516/4885ACE 1063/4885KMT2A 4759/4885

“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.