SCHEMBL6895694

SCHEMBL6895694

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 5/20 0.41
CTSL P07711 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
UGCG Q16739 6/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
IDO1 P14902 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
SCHEMBL6895691 1.00 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6896682 0.93 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL27538309 0.93 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1UGCG
SCHEMBL6895429 0.93 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1UGCG
SCHEMBL6895008 0.93 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6891051 0.93 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1UGCG
SCHEMBL6896860 0.92 HSD17B10 (0.41) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL27538227 0.92 HSD17B10 (0.41) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL27538348 0.91 HSD17B10 (0.43) HSD17B10CHRM1CTSLALDH1A1KDM4E
SCHEMBL6897650 0.91 HSD17B10 (0.40) 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 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 HSD17B10 1909/4885CHRM1 340/4885CTSL 869/4885

“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.