SCHEMBL6897904

SCHEMBL6897904

CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)N(CCO)CCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.32
MMP8 P22894 11/20 0.32
MMP9 P14780 10/20 0.32
MMP1 P03956 13/20 0.32
MMP3 P08254 7/20 0.31
MMP7 P09237 4/20 0.31
FCER2 P06734 1/20 0.31
ADAM10 O14672 1/20 0.31
ADAM12 O43184 1/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
MMP15 P51511 1/20 0.31
MMP16 P51512 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAM9 Q13443 1/20 0.31
MMP26 Q9NRE1 1/20 0.31
MMP17 Q9ULZ9 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL6890608 0.89 MME (0.39)
Hydrochloric Acid SCHEMBL6889416 0.88 MME (0.38)
SCHEMBL6896565 0.87
SCHEMBL27562651 0.78 MMP1 (0.50) MMP2MMP8MMP9MMP1MMP3
SCHEMBL6899001 0.78 MMP1 (0.50) MMP2MMP8MMP9MMP1MMP3
SCHEMBL18676429 0.76 CTSS (0.35) MMP2MMP8MMP9MMP1MMP3
SCHEMBL3834639 0.75 MMP1 (0.32) MMP2MMP8MMP9MMP1MMP3
SCHEMBL6898877 0.74 MMP1 (0.55) MMP2MMP8MMP9MMP1MMP3
SCHEMBL6897261 0.73 MMP1 (0.46) MMP2MMP1MMP3FCER2
SCHEMBL27543456 0.73 MMP1 (0.52) MMP2MMP8MMP9MMP1MMP3

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 MMP2 3359/4885MMP8 3131/4885MMP9 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.