SCHEMBL6894779

SCHEMBL6894779

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.43
ACE P12821 7/20 0.43
CYP3A4 P08684 1/20 0.42
UGCG Q16739 1/20 0.42
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIN1 Q13526 2/20 0.39
CCKBR P32239 1/20 0.38
CTSL P07711 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL27559981 1.00 MME (0.43) MMEACECYP3A4UGCGHSD17B10
SCHEMBL6891051 0.92 HSD17B10 (0.47) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27538309 0.92 HSD17B10 (0.47) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6895429 0.92 HSD17B10 (0.47) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6893485 0.89 CYP3A4 (0.44) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27538327 0.89 CYP3A4 (0.44) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6890601 0.89 MME (0.46) MMEACECYP3A4UGCGHSD17B10
SCHEMBL7682723 0.89 MME (0.46) MMEACECYP3A4UGCGHSD17B10
SCHEMBL6895829 0.88 CHRM1 (0.49) CYP3A4UGCGHSD17B10ALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL6895604 0.87 CTSL (0.45) CYP3A4UGCGHSD17B10ALDH1A1SMN1; 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 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 MME 1516/4885ACE 1063/4885CYP3A4 1139/4885

“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.