SCHEMBL6896654

SCHEMBL6896654

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@@H](C)C(=O)NCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 3/20 0.34
BCHE P06276 1/20 0.33
CASR P41180 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL27562645 1.00 PKM (0.40) PKMKDM4EALDH1A1SIGMAR1BCHE
SCHEMBL6734367 0.87 PKM (0.37) PKMALDH1A1SIGMAR1CASR
SCHEMBL27538279 0.85 SIGMAR1 (0.35) SIGMAR1CASR
SCHEMBL6898948 0.85 SIGMAR1 (0.35) SIGMAR1CASR
SCHEMBL6895012 0.85 CASR (0.33) ALDH1A1CASRMETAP2
SCHEMBL6894617 0.84 LTA4H (0.39) ALDH1A1CASRMETAP2
SCHEMBL27559923 0.84 LTA4H (0.39) ALDH1A1CASRMETAP2
SCHEMBL27543525 0.84 LTA4H (0.39) ALDH1A1CASRMETAP2
SCHEMBL6890761 0.84 LTA4H (0.39) ALDH1A1CASRMETAP2
SCHEMBL6896738 0.84 LTA4H (0.39) ALDH1A1CASRMETAP2

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 PKM 4175/4885KDM4E 2856/4885ALDH1A1 1309/4885

“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.