SCHEMBL6895501

SCHEMBL6895501

CC(C)CCN(CC(=O)NCCN(C)C)C(=O)N[C@@H](COCc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.45
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMD3 O43242 1/20 0.37
PSMC3 P17980 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37

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
SCHEMBL6895506 1.00 CTSB (0.45) CTSBLMNAPKMMAOBPSMB11
SCHEMBL6898261 0.88 CYP3A4 (0.46) CTSBLMNAPKM
SCHEMBL6898138 0.88 CYP3A4 (0.46) CTSBLMNAPKM
SCHEMBL27495255 0.87 CTSB (0.50) CTSBMAOB
SCHEMBL6736905 0.87 CTSB (0.50) CTSBMAOB
SCHEMBL6897256 0.83 MME (0.38) CTSBLMNAPKM
SCHEMBL6897114 0.83 MME (0.38) CTSBLMNAPKM
SCHEMBL7684657 0.83 MME (0.38) CTSBLMNAPKM
SCHEMBL6741605 0.81 CTSS (0.46) CTSB
SCHEMBL6737016 0.77 CTSB (0.44) CTSBMAOB

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 CTSB 1387/4885LMNA 4204/4885PKM 4175/4885

“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.