SCHEMBL10090671

SCHEMBL10090671

Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1cccs1)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.72
LMNA P02545 9/20 0.72
ALDH1A1 P00352 8/20 0.72
PKM P14618 6/20 0.72
POLB P06746 6/20 0.72
MAPT P10636 5/20 0.72
L3MBTL1 Q9Y468 5/20 0.72
TDP1 Q9NUW8 4/20 0.72
ESR1 P03372 3/20 0.72
RECQL P46063 3/20 0.72
APEX1 P27695 2/20 0.72
BLM P54132 2/20 0.72
KDM4E B2RXH2 1/20 0.72
THRB P10828 1/20 0.72
HPGD P15428 1/20 0.72
NR4A1 P22736 1/20 0.72
CACNA1B Q00975 1/20 0.72
APBA1 Q02410 1/20 0.72
NPSR1 Q6W5P4 5/20 0.69
MAPK1 P28482 3/20 0.68

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
SCHEMBL10090761 0.84 SMN1; SMN2 (0.86) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL2015803 0.83 ALDH1A1 (1.00) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090672 0.80 TSHR (1.00) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090710 0.80 SMN1; SMN2 (0.76) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090713 0.80 TSHR (0.76) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090728 0.79 SMN1; SMN2 (0.75) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090741 0.78 HTT (0.79) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL16217081 0.77 TSHR (0.78) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090735 0.77 TSHR (0.71) SMN1; SMN2LMNAALDH1A1PKMPOLB
SCHEMBL10090760 0.73 SMN1; SMN2 (0.71) SMN1; SMN2LMNAALDH1A1PKMPOLB

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-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 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 (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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF SMN1; SMN2 4322/4885LMNA 3658/4885ALDH1A1 855/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF SMN1; SMN2 4322/4885LMNA 3658/4885ALDH1A1 855/4885

“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.