SCHEMBL3320499

SCHEMBL3320499

CC(C)COC(C)ONC(=O)C[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.41
MMP13 P45452 3/20 0.41
MMP2 P08253 9/20 0.40
MMP3 P08254 6/20 0.40
CTSS P25774 1/20 0.40
BMP1 P13497 1/20 0.40
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FCER2 P06734 1/20 0.37
USP19 O94966 1/20 0.37

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
SCHEMBL3320496 1.00 MMP1 (0.41) MMP1MMP13MMP2MMP3CTSS
SCHEMBL3319461 0.83 ATM (0.39) MMP1MMP13MMP2MMP3BMP1
SCHEMBL3323173 0.82 LTA4H (0.37) MMP1MMP13MMP2MMP3CTSS
SCHEMBL5494014 0.81 MMP1 (0.44) MMP1MMP13MMP2MMP3CTSS
SCHEMBL5494009 0.81 MMP1 (0.44) MMP1MMP13MMP2MMP3CTSS
SCHEMBL3324815 0.80 CTSD (0.42) MMP1MMP2MMP3CTSSFCER2
SCHEMBL3324823 0.80 CTSD (0.42) MMP1MMP2MMP3CTSSFCER2
SCHEMBL3320624 0.80 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL13333365 0.79 LTA4H (0.34) MMP1MMP13MMP2MMP3CTSS
SCHEMBL5496205 0.79 MMP1 (0.45) MMP1MMP13MMP2MMP3CTSS

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-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP1 3122/4885MMP13 3849/4885MMP2 1579/4885

“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.