SCHEMBL7027957

SCHEMBL7027957

CC(C)C(=O)NC(CO)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.41
▸ TGFBR1 P36897 3/20 0.35
▸ ACE P12821 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MMP8 P22894 1/20 0.31
▸ NMT2 O60551 1/20 0.31
▸ NMT1 P30419 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
SCHEMBL13380098 0.82 MME (0.58) MMETGFBR1ACEALDH1A1THRB
SCHEMBL9650023 0.82 MME (0.58) MMETGFBR1ACEALDH1A1THRB
SCHEMBL12017867 0.82 ALDH1A1 (0.47) MMETGFBR1ALDH1A1THRB
SCHEMBL14520476 0.82 MME (0.41) MMETGFBR1ACEALDH1A1THRB
SCHEMBL14163011 0.82 MME (0.58) MMETGFBR1ACEALDH1A1THRB
SCHEMBL12537161 0.82 ALDH1A1 (0.47) MMETGFBR1ALDH1A1THRB
SCHEMBL17324228 0.80 ACE (0.52) MMEACETHRB
SCHEMBL13380099 0.80 MMP3 (0.42) MMETGFBR1ACEMMP8
SCHEMBL25542666 0.80 ACE (0.34) ACECYP2C9CYP2C19CNR2
SCHEMBL20021565 0.80 ALDH1A1 (0.45) MMEALDH1A1MMP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575094-B2 Use of type-B lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2013-11-05 — — US disclosed
US-8575094-B2 Use of type-B lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2013-11-05 — — US disclosed
US-8329644-B2 Lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2012-12-11 — — US disclosed
US-8183202-B2 — — 2012-05-22 — — US disclosed
US-20100261638-A1 LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY NOVACTA BIOSYSTEMS LIMITED (GB) 2010-10-14 — — US disclosed
US-20090203583-A1 Use of Type-B Lantibiotic-Based Compounds having Antimicrobial Activity NOVACTA BIOSYSTEMS LIMITED (GB) 2009-08-13 — — US 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-20100261638-A1 LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY GPR6, GALR3, NTSR1 MME 1295/4885TGFBR1 1256/4885ACE 3740/4885
US-20090203583-A1 Use of Type-B Lantibiotic-Based Compounds having Antimicrobial Activity MTPN, NISCH, VIP MME 130/4885TGFBR1 1533/4885ACE 1914/4885

“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.

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