SCHEMBL3317636

SCHEMBL3317636

CC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)C(=O)N1CCC(Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MMP1 P03956 4/20 0.38
MMP13 P45452 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 1/20 0.37
EPHX2 P34913 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2J2 P51589 1/20 0.37
PDF Q9HBH1 1/20 0.36
POLB P06746 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
SCHEMBL3317642 1.00 SRD5A1 (0.46) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL3322041 0.94 KMT2A (0.41) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL3322046 0.94 KMT2A (0.41) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL13361606 0.94 KMT2A (0.41) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL14573454 0.93 MMP1 (0.41) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL13333388 0.93 MMP1 (0.41) SRD5A1KMT2ALMNAMAPTMMP1
SCHEMBL13333385 0.92 KMT2A (0.43) SRD5A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL3323158 0.92 KMT2A (0.43) SRD5A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL3323161 0.92 KMT2A (0.43) SRD5A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL13361595 0.92 KMT2A (0.43) SRD5A1KMT2ALMNAMAPTL3MBTL1

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 SRD5A1 2839/4885KMT2A 3765/4885LMNA 2462/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 SRD5A1 3030/4885KMT2A 3725/4885LMNA 2435/4885

“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.