SCHEMBL6897200

SCHEMBL6897200

CC(C)(C)OC(=O)NCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.46
CTSK P43235 7/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 2/20 0.46
AKT1 P31749 1/20 0.45
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCL2 P10415 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
P4HB P07237 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6891212 0.91 ALDH1A1 (0.42) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6899498 0.90 ITGA4 (0.43) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6893302 0.90 CTSS (0.43) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6898016 0.87 ALDH1A1 (0.47) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6897967 0.86 ALDH1A1 (0.51) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6897716 0.85 ALDH1A1 (0.46) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6895846 0.85 ALDH1A1 (0.48) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6898396 0.84 ALDH1A1 (0.45) CTSLALDH1A1ITGA4ITGB7PPARG
SCHEMBL6894874 0.84 ALDH1A1 (0.49) CTSLALDH1A1ITGA4ITGB7PTPN1
SCHEMBL6898399 0.84 ALDH1A1 (0.43) 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 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 CTSS 625/4885CTSK 1877/4885CTSL 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.