SCHEMBL6899412

SCHEMBL6899412

CCCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(CCO)CCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
ACE P12821 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
REN P00797 1/20 0.47
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPRA P18433 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
LMNA P02545 1/20 0.41
CHRND Q07001 3/20 0.41

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
SCHEMBL6890577 0.90 MME (0.47) MMEACEL3MBTL1RENCPA1
SCHEMBL6898809 0.88 MME (0.46) MMEACEL3MBTL1RENCPA1
SCHEMBL6895033 0.88 MME (0.46) MMEACEL3MBTL1RENCPA1
SCHEMBL6891301 0.85 L3MBTL1 (0.50) MMEACEL3MBTL1RENCPA1
SCHEMBL6898434 0.85 MME (0.67) MMEACECPA1ACE2
SCHEMBL27538373 0.84 CYP3A4 (0.44) MMEACEL3MBTL1MMP8
SCHEMBL6889408 0.84 CYP3A4 (0.44) MMEACEL3MBTL1MMP8
SCHEMBL6899001 0.80 MMP1 (0.50) MMEACEMMP2MMP9MMP8
SCHEMBL27562651 0.80 MMP1 (0.50) MMEACEMMP2MMP9MMP8
SCHEMBL6897813 0.79 L3MBTL1 (0.46) MMEACEL3MBTL1RENCPA1

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 1063/4885L3MBTL1 3448/4885

“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.