SCHEMBL6897169

SCHEMBL6897169

CC(=O)SCCN(CCc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CCKBR P32239 1/20 0.37
MME P08473 3/20 0.36
ACE P12821 2/20 0.35
FKBP1A P62942 1/20 0.35
LMNA P02545 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
OPRD1 P41143 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
CHKA P35790 1/20 0.34

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
SCHEMBL6891371 0.89 HSD17B10 (0.46) PKMTSHRHSD17B10ACE
SCHEMBL6895946 0.89 HSD17B10 (0.46) PKMTSHRHSD17B10ACE
SCHEMBL27538415 0.89 HSD17B10 (0.46) PKMTSHRHSD17B10ACE
SCHEMBL6898126 0.88 HSD17B10 (0.40) TSHRHSD17B10
SCHEMBL6894779 0.86 MME (0.43) HSD17B10CCKBRMMEACE
SCHEMBL27559981 0.86 MME (0.43) HSD17B10CCKBRMMEACE
SCHEMBL6897607 0.86 MEN1 (0.40) HSD17B10ACELMNA
SCHEMBL6890745 0.86 MAPT (0.43) SIGMAR1LMNAMMP1
SCHEMBL6898176 0.85 CYP3A4 (0.39) SIGMAR1HPGDTSHRHSD17B10LMNA
SCHEMBL6895628 0.85 CHRM5 (0.39) SIGMAR1TSHRHSD17B10

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 PKM 4175/4885SIGMAR1 26/4885HPGD 758/4885

“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.