SCHEMBL6895814

SCHEMBL6895814

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TACR2 P21452 2/20 0.41
MMP8 P22894 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
KIFC1 Q9BW19 1/20 0.40
SRC P12931 1/20 0.40
BCL2A1 Q16548 2/20 0.39
BID P55957 1/20 0.39

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
SCHEMBL6899419 0.96 KIFC1 (0.45) CTSSCTSKMMP8L3MBTL1KIFC1
SCHEMBL6898419 0.95 OPRM1 (0.44) MMP8KIFC1SRC
SCHEMBL27538457 0.95 AVPR1A (0.46) TACR2MMP8KIFC1SRC
SCHEMBL6890698 0.95 KIFC1 (0.42) CTSSCTSKTACR2MMP8KMT2A
SCHEMBL6899191 0.95 AVPR1A (0.46) TACR2MMP8KIFC1SRC
SCHEMBL6895729 0.93 MEN1 (0.41) CTSSCTSKTACR2MMP8KMT2A
SCHEMBL6897068 0.93 KMT2A (0.47) CTSSCTSKTACR2KMT2AKIFC1
SCHEMBL6890418 0.91 ALDH1A1 (0.44) KMT2A
SCHEMBL6890575 0.91 SRC (0.42) TACR2MMP8KMT2AKIFC1SRC
SCHEMBL6897220 0.91 MME (0.44) CTSSCTSKMMP8

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 CTSS 625/4885CTSK 1877/4885TACR2 94/4885

“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.