SCHEMBL6899406

SCHEMBL6899406

COCCN(CCSC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ATM Q13315 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HTR1A P08908 1/20 0.33
TP53 P04637 1/20 0.32
NAMPT P43490 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL6898797 0.86 HTR1A (0.33) KDM4EHTR1AHSD17B10ALDH1A1KDM4C
SCHEMBL6895514 0.84 MBOAT4 (0.33) HTR1ATP53
SCHEMBL7673732 0.84 HTR1A (0.32) HTR1A
SCHEMBL6899179 0.84 HTR1A (0.32) HTR1A
SCHEMBL6891091 0.83 TP53 (0.33) HTR1ATP53
SCHEMBL6897336 0.82 TP53 (0.34) HTR1ATP53
SCHEMBL6890745 0.81 MAPT (0.43) MAPTALDH1A1
SCHEMBL6897826 0.81 TP53 (0.36) KDM4ETP53ALDH1A1
SCHEMBL6895866 0.81 TP53 (0.34) HTR1ATP53
SCHEMBL7657328 0.81 TP53 (0.34) HTR1ATP53

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 KDM4E 2856/4885ATM 3616/4885ABL1 4471/4885

“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.