SCHEMBL3279934

SCHEMBL3279934

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 2/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL6667894 0.80 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL231579 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1524035 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6990374 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2910849 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL181786 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9421561 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9421573 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6423299 0.76 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
Di(Hydroxyethyl)Ether SCHEMBL2684287 0.75 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10

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-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 US disclosed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 US disclosed
EP-1628999-A4 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIV MARYLAND (US) 2006-08-23 EP disclosed
EP-1628999-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH University of Maryland, Baltimore County (US) 2006-03-01 EP disclosed
WO-2005007079-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-01-27 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 (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-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth GLS, GLO1, GLRX3 TSHR 3314/4885ALDH1A1 706/4885TP53 450/4885

“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.