SCHEMBL15080409

SCHEMBL15080409

CC(=O)N(CC(=O)O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FPR1 P21462 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL15080653 0.84 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL1547062 0.83 CA1 (0.56) CA12CA1CA2CA9PIK3CD
SCHEMBL6534981 0.82 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL17424485 0.80 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL29669460 0.80 CA1 (0.54) CA12CA1CA2CA9PIK3CD
SCHEMBL16650139 0.80 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL2687920 0.80 TDP1 (0.43) HSD17B10TDP1EYA2APPACE
SCHEMBL7938759 0.78 CA1 (0.52) CA12CA1CA2CA9PIK3CD
SCHEMBL6788905 0.78 TDP1 (0.41) HSD17B10TDP1EYA2APPACE
Water SCHEMBL7765705 0.78 TDP1 (0.41) HSD17B10TDP1EYA2APPACE

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-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-02 US disclosed
US-9499587-B2 Gamma-AApeptides with potent and broad-spectrum antimicrobial activity UNIVERSITY OF SOUTH FLORIDA (US) 2016-11-22 US disclosed
US-20150274782-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-01 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
CN-1278790-A Chemical compound ASTRA ZENECA BRITISH INC (GB) 2001-01-03 CN 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-20150274782-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP CA12 4464/4885CA1 4738/4885CA2 4295/4885
US-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP CA12 4464/4885CA1 4738/4885CA2 4295/4885

“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.