SCHEMBL6893432

SCHEMBL6893432

CC(=O)Oc1ccc(CCN(CCSC(C)=O)C(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
CHRM1 P11229 2/20 0.33
HTR2A P28223 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ACACB O00763 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL6890745 0.92 MAPT (0.43) SMN1; SMN2MAPTCHRM1CHRM5CHRM3
SCHEMBL6897607 0.89 MEN1 (0.40) NPC1SMN1; SMN2MAPTHSD17B10CHRM1
SCHEMBL6898176 0.88 CYP3A4 (0.39) SMN1; SMN2MAPTHSD17B10CHRM1HTR2A
SCHEMBL6895628 0.88 CHRM5 (0.39) SMN1; SMN2HSD17B10CHRM1HTR2ACHRM5
SCHEMBL6895946 0.88 HSD17B10 (0.46) HSD17B10CHRM1
SCHEMBL6891371 0.88 HSD17B10 (0.46) HSD17B10CHRM1
SCHEMBL27538415 0.88 HSD17B10 (0.46) HSD17B10CHRM1
SCHEMBL6898126 0.86 HSD17B10 (0.40) HSD17B10CHRM1KMT2AHRH3
SCHEMBL6898009 0.86 CHRM1 (0.42) HSD17B10CHRM1KMT2AMEN1
SCHEMBL6897169 0.85 PKM (0.40) HSD17B10

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 NPC1 3264/4885RAB9A 3117/4885SMN1; SMN2 4533/4885

“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.