SCHEMBL7055044

SCHEMBL7055044

CC(=O)SCCN(CCc1ccccc1)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
AKT1 P31749 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
CA2 P00918 1/20 0.37
BCL2 P10415 1/20 0.37
SRC P12931 1/20 0.37
PTPN1 P18031 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL6893689 1.00 CTSL (0.40) CTSLALDH1A1ITGA4ITGB7AKT1
SCHEMBL6895410 0.93 CTSL (0.41) CTSLALDH1A1ITGA4ITGB7AKT1
SCHEMBL6893302 0.92 CTSS (0.43) CTSLALDH1A1ITGA4ITGB7AKT1
SCHEMBL6891212 0.90 ALDH1A1 (0.42) CTSLALDH1A1ITGA4ITGB7AKT1
SCHEMBL6897691 0.90 ALDH1A1 (0.44) CTSLALDH1A1ITGA4ITGB7SRC
SCHEMBL6890418 0.87 ALDH1A1 (0.44) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6890749 0.86 ALDH1A1 (0.44) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6897566 0.86 ALDH1A1 (0.47) CTSLALDH1A1SRCPTPN1NPC1
SCHEMBL6896895 0.86 ALDH1A1 (0.42) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6897063 0.85 ALDH1A1 (0.42) CTSLALDH1A1ITGA4ITGB7PTPN1

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 CTSL 869/4885ALDH1A1 1309/4885ITGA4 4185/4885

“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.