SCHEMBL4391032

SCHEMBL4391032

C=CCOC(=O)N(CC(=O)O)OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1162314 0.79 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4989700 0.76 TDP1 (0.35) TSHRTDP1HSD17B10
SCHEMBL797852 0.71
SCHEMBL9482612 0.70 CYP3A4 (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10690119 0.70
SCHEMBL9547338 0.70
SCHEMBL4992998 0.69 HDAC6 (0.35) TDP1
Hydrochloric Acid SCHEMBL11684897 0.69 TSHR (0.38) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL16264823 0.69 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL6549396 0.69 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B

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-7473671-B2 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-06 US disclosed
US-7331920-B2 Glycopeptide antibiotics, combinational libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2008-02-19 US disclosed
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY 2005-04-07 US disclosed
US-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY, THE 2004-06-03 US disclosed
US-6710168-B1 VANCOMYCIN DERIVATIVES THE TRUSTEES OF THE UNIVERSITY OF PRINCETON 2004-03-23 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-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same NPR1, NPR3, OSTC TSHR 463/4885CYP3A4 3890/4885TDP1 3513/4885
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same ARSA, STS, GARS1 TSHR 232/4885CYP3A4 1108/4885TDP1 4822/4885

“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.