SCHEMBL6897739

SCHEMBL6897739

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 3/20 0.39
CTSL P07711 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
UGCG Q16739 2/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
ACE P12821 1/20 0.36
AR P10275 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27538393 1.00 CCKBR (0.40) CCKBRHSD17B10CHRM1CTSLALDH1A1
SCHEMBL6895008 0.93 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL27541811 0.93 CCKBR (0.42) CCKBRHSD17B10CHRM1CTSLALDH1A1
SCHEMBL6896904 0.93 CCKBR (0.42) CCKBRHSD17B10CHRM1CTSLALDH1A1
SCHEMBL27538227 0.92 HSD17B10 (0.41) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6896860 0.92 HSD17B10 (0.41) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6896682 0.89 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL27538309 0.89 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6895694 0.89 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6895691 0.89 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E

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 CCKBR 197/4885HSD17B10 1909/4885CHRM1 340/4885

“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.