SCHEMBL6890698

SCHEMBL6890698

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 2/20 0.42
MMP8 P22894 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
CTSL P07711 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.39
TACR2 P21452 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6895814 0.95 CTSS (0.42) KIFC1MMP8SRCTACR2CTSS
SCHEMBL6899419 0.93 KIFC1 (0.45) KIFC1MMP8SRCCTSSCTSK
SCHEMBL6898419 0.92 OPRM1 (0.44) KIFC1MMP8CTSLSRC
SCHEMBL6899191 0.91 AVPR1A (0.46) KIFC1MMP8CTSLSRCTACR2
SCHEMBL27538457 0.91 AVPR1A (0.46) KIFC1MMP8CTSLSRCTACR2
SCHEMBL6895729 0.90 MEN1 (0.41) KIFC1MMP8CTSLSRCTACR2
SCHEMBL6897068 0.90 KMT2A (0.47) KIFC1CTSLSRCTACR2CTSS
SCHEMBL6890575 0.88 SRC (0.42) KIFC1MMP8SRCTACR2KMT2A
SCHEMBL6890418 0.88 ALDH1A1 (0.44) CTSLALDH1A1MEN1KMT2ARAB9A
SCHEMBL6891355 0.88 KIFC1 (0.45) KIFC1MMP8PSMB8PSMB5ALDH1A1

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 KIFC1 4614/4885MMP8 3131/4885PSMB8 1325/4885

“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.