SCHEMBL6890575

SCHEMBL6890575

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
KIFC1 Q9BW19 5/20 0.40
KLKB1 P03952 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP8 P22894 1/20 0.37
CNR2 P34972 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ATM Q13315 1/20 0.36
TACR2 P21452 2/20 0.36
ACACB O00763 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6897068 0.92 KMT2A (0.47) SRCKIFC1KLKB1KMT2AOPRM1
SCHEMBL6895814 0.91 CTSS (0.42) SRCKIFC1KMT2AMMP8TACR2
SCHEMBL6899419 0.90 KIFC1 (0.45) SRCKIFC1MMP8
SCHEMBL6895776 0.89 SRC (0.43) SRCKIFC1KLKB1ALPLALPI
SCHEMBL6898419 0.89 OPRM1 (0.44) SRCKIFC1MMP8OPRM1OPRD1
SCHEMBL6899191 0.88 AVPR1A (0.46) SRCKIFC1MMP8CNR2TACR2
SCHEMBL27538457 0.88 AVPR1A (0.46) SRCKIFC1MMP8CNR2TACR2
SCHEMBL6890698 0.88 KIFC1 (0.42) SRCKIFC1KMT2AMMP8TACR2
SCHEMBL6897220 0.87 MME (0.44) MMP8
SCHEMBL6895729 0.87 MEN1 (0.41) SRCKIFC1KMT2AMMP8TACR2

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 SRC 2906/4885KIFC1 4614/4885KLKB1 4687/4885

“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.