SCHEMBL6893650

SCHEMBL6893650

CC(=O)SCCN(CCc1ccccc1)C(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
IDO1 P14902 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 3/20 0.36
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL6893352 0.90 SIGMAR1 (0.39) SIGMAR1IDO1POLBNPC1RAB9A
SCHEMBL6889389 0.86 SIGMAR1 (0.43) SIGMAR1IDO1POLBNPC1RAB9A
SCHEMBL6898169 0.86 RAB9A (0.43) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6893689 0.81 CTSL (0.40) NPC1RAB9ACTSKPPARAPPARG
SCHEMBL7055044 0.81 CTSL (0.40) NPC1RAB9ACTSKPPARAPPARG
SCHEMBL27560009 0.80 KLK5 (0.40) CTSKPPARAPPARG
SCHEMBL27560013 0.80 KLK5 (0.40) CTSKPPARAPPARG
SCHEMBL27559969 0.79 NPC1 (0.41) SIGMAR1POLBNPC1RAB9AMEN1
SCHEMBL27562659 0.79 POLB (0.41) IDO1POLBTDP1CTSKMAPT
SCHEMBL27560003 0.79 POLB (0.41) IDO1POLBTDP1CTSKMAPT

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 5 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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 SIGMAR1 26/4885IDO1 1413/4885POLB 2155/4885

“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.