SCHEMBL3319635

SCHEMBL3319635

COC(=O)c1ccc(OC2CCN(C(=O)[C@@H](NC(=O)C(CC3CCCC3)CN(C=O)OCc3ccccc3)C(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.40
MMP13 P45452 3/20 0.40
SRD5A1 P18405 1/20 0.39
RORC P51449 1/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
REN P00797 1/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL13361605 1.00 MMP1 (0.40) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL13333396 1.00 MMP1 (0.40) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL3318361 0.95 SRD5A1 (0.45) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL6424139 0.94 MMP1 (0.44) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL14573453 0.93 KMT2A (0.39) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL3320972 0.93 KMT2A (0.39) MMP1MMP13SRD5A1RORCLMNA
SCHEMBL3323190 0.92 MMP1 (0.42) MMP1MMP13SRD5A1RORCNAMPT
SCHEMBL3322046 0.86 KMT2A (0.41) MMP1SRD5A1LMNAKMT2AMAPT
SCHEMBL3322041 0.86 KMT2A (0.41) MMP1SRD5A1LMNAKMT2AMAPT
SCHEMBL13361606 0.86 KMT2A (0.41) MMP1SRD5A1LMNAKMT2AMAPT

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 7 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-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 MMP1 3086/4885MMP13 3836/4885SRD5A1 2839/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP1 3122/4885MMP13 3849/4885SRD5A1 3030/4885

“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.