SCHEMBL6897650

SCHEMBL6897650

CCC[C@H](NC(=O)N(CCSC(C)=O)CCc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 3/20 0.40
CTSL P07711 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MC4R P32245 2/20 0.37
UGCG Q16739 2/20 0.37
CYP3A4 P08684 1/20 0.37
P2RY12 Q9H244 1/20 0.36
TGM2 P21980 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
SCHEMBL6896682 0.93 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6898338 0.92 NPC1 (0.43) HSD17B10CHRM1CTSLALDH1A1CCR1
SCHEMBL6898344 0.92 NPC1 (0.43) HSD17B10CHRM1CTSLALDH1A1CCR1
SCHEMBL6895691 0.91 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL27538309 0.91 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6895429 0.91 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6891051 0.91 HSD17B10 (0.47) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6895008 0.91 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6895694 0.91 HSD17B10 (0.42) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2
SCHEMBL6896860 0.90 HSD17B10 (0.41) HSD17B10CHRM1CTSLALDH1A1SMN1; SMN2

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.