SCHEMBL6891049

SCHEMBL6891049

CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N(CCS)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
TDP1 Q9NUW8 7/20 0.40
NPSR1 Q6W5P4 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ATM Q13315 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 3/20 0.39
ADAM17 P78536 1/20 0.38
MC4R P32245 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL27538296 1.00 MMP1 (0.43) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL6895356 0.91 TDP1 (0.44) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL27559966 0.87 MMP1 (0.42) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL6895880 0.87 MMP1 (0.42) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL27543407 0.83 TDP1 (0.43) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL27543406 0.83 TDP1 (0.43) MMP1MMP3MMP9TDP1NPSR1
SCHEMBL6889252 0.81 MEN1 (0.47) TDP1NPSR1CA1CA2ATM
SCHEMBL27559941 0.81 MEN1 (0.47) TDP1NPSR1CA1CA2ATM
SCHEMBL19546066 0.79 MEN1 (0.54) MMP1MMP3MMP9TDP1NPSR1
Hydrochloric Acid SCHEMBL6897077 0.79 NMT2 (0.38) MMP1MMP3MMP9CA1CA2

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 MMP1 3883/4885MMP3 4452/4885MMP9 3772/4885

“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.