SCHEMBL6898261

SCHEMBL6898261

CC(C)CCN(CC(=O)NCCN(C)C)C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.38
ANPEP P15144 2/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNPEP Q9ULA0 2/20 0.38
CTSB P07858 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
LAP3 P28838 3/20 0.37
JAK3 P52333 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MME P08473 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6898138 1.00 CYP3A4 (0.46) CYP3A4MAPK1LMNAPKMALDH1A1
SCHEMBL7684657 0.88 MME (0.38) CYP3A4MAPK1LMNAPKMALDH1A1
SCHEMBL6897256 0.88 MME (0.38) CYP3A4MAPK1LMNAPKMALDH1A1
SCHEMBL6895501 0.88 CTSB (0.45) LMNAPKMCTSB
SCHEMBL6895506 0.88 CTSB (0.45) LMNAPKMCTSB
SCHEMBL6897114 0.88 MME (0.38) CYP3A4MAPK1LMNAPKMALDH1A1
SCHEMBL27479232 0.86 MAPK1 (0.52) CYP3A4MAPK1CTSBKMT2AMME
SCHEMBL6732315 0.86 MAPK1 (0.52) CYP3A4MAPK1CTSBKMT2AMME
SCHEMBL6735719 0.80 MME (0.49) CYP3A4MAPK1MME
SCHEMBL6740816 0.78 ATM (0.46) CYP3A4MAPK1CTSB

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 CYP3A4 1139/4885MAPK1 2297/4885LMNA 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.