SCHEMBL6898252

SCHEMBL6898252

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC(=O)N1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 1/20 0.32
LMNA P02545 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7510265 0.84 SIGMAR1 (0.42) HSD11B1ALDH1A1SIGMAR1POLB
SCHEMBL7214737 0.84 HRH3 (0.36) SIGMAR1KDM4EITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7214545 0.83 HRH3 (0.35) SIGMAR1KDM4EITGB3ITGA2BF2R
SCHEMBL6895895 0.82 CNR1 (0.34) HSD11B1ALDH1A1SIGMAR1TP53KDM4E
SCHEMBL6893494 0.82 KDM5A (0.35) ALDH1A1TP53LMNAMAPTPOLB
SCHEMBL6897959 0.82 TP53 (0.36) HSD11B1ALDH1A1SIGMAR1TP53KDM4E
SCHEMBL6897826 0.82 TP53 (0.36) HSD11B1ALDH1A1SIGMAR1TP53KDM4E
SCHEMBL6898851 0.82 TP53 (0.36) HSD11B1ALDH1A1SIGMAR1TP53KDM4E
SCHEMBL7216316 0.81 HRH3 (0.35) ALDH1A1SIGMAR1KDM4EITGB3ITGA2B
SCHEMBL7216311 0.81 HRH3 (0.35) ALDH1A1SIGMAR1KDM4EITGB3ITGA2B

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 HSD11B1 2067/4885ALDH1A1 1309/4885SIGMAR1 26/4885

“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.