SCHEMBL6899498

SCHEMBL6899498

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40
AKT1 P31749 1/20 0.39
BCL2 P10415 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.93 ALDH1A1 (0.42) ITGA4ITGB7CTSLCTSSCTSK
SCHEMBL6897200 0.90 CTSS (0.46) ITGA4ITGB7CTSLCTSSCTSK
SCHEMBL6895410 0.90 CTSL (0.41) ITGA4ITGB7CTSLCTSSCTSK
SCHEMBL6898016 0.84 ALDH1A1 (0.47) ITGA4ITGB7CTSLALDH1A1MEN1
SCHEMBL6897967 0.84 ALDH1A1 (0.51) ITGA4ITGB7CTSLALDH1A1MEN1
SCHEMBL6895846 0.83 ALDH1A1 (0.48) ITGA4ITGB7CTSLALDH1A1MAPT
SCHEMBL6897716 0.83 ALDH1A1 (0.46) ITGA4ITGB7CTSLALDH1A1MEN1
SCHEMBL7055044 0.83 CTSL (0.40) ITGA4ITGB7CTSLCTSSCTSK
SCHEMBL6893689 0.83 CTSL (0.40) ITGA4ITGB7CTSLCTSSCTSK
SCHEMBL6895640 0.83 CA2 (0.47) CTSLALDH1A1MEN1KMT2ANPC1

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 ITGA4 4185/4885ITGB7 3803/4885CTSL 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.