SCHEMBL13333338

SCHEMBL13333338

CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.41
PDF Q9HBH1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL13333271 0.88 ALDH1A1 (0.48) ALDH1A1KMT2APOLBTSHR
SCHEMBL13333294 0.84 PDF (0.43) ALDH1A1PDF
SCHEMBL1597613 0.79 BMP1 (0.42) TAS1R3TAS1R1ALDH1A1HSD17B10KMT2A
SCHEMBL1597606 0.79 BMP1 (0.42) TAS1R3TAS1R1ALDH1A1HSD17B10KMT2A
SCHEMBL14282181 0.79 PDF (0.52) PDF
SCHEMBL14282179 0.79 PDF (0.54) PDF
SCHEMBL14282180 0.78 PDF (0.51) PDF
SCHEMBL6135699 0.78 PDF (0.53) PDF
SCHEMBL7533637 0.77 PDF (0.43) PDF
SCHEMBL6023947 0.77 TAS1R3 (0.53) TAS1R3TAS1R1ALDH1A1HSD17B10KMT2A

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 4 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-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-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 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 (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 TAS1R3 2403/4885TAS1R1 2266/4885ALDH1A1 2288/4885

“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.