SCHEMBL7126469

SCHEMBL7126469

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)CN(C(C(=O)O)c1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
XIAP P98170 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
THRB P10828 5/20 0.47
ALOX5AP P20292 6/20 0.46
FEN1 P39748 6/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7125712 0.92 THRB (0.45) KDM4EALDH1A1ALOX15TSHRXIAP
SCHEMBL7125640 0.83 LMNA (0.51) THRBALOX5APFEN1LMNAMAPT
SCHEMBL7117717 0.82 MAPT (0.48) THRBALOX5APFEN1LMNAMAPT
SCHEMBL7117836 0.79 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL7122641 0.77 GAA (0.43) THRBLMNAMAPT
SCHEMBL7128378 0.77 GAA (0.43) THRBLMNAMAPT
SCHEMBL7128783 0.74 ALOX5AP (0.47) ALOX15ALOX5APFEN1
SCHEMBL17357510 0.73 ALOX15 (1.00) KDM4EALDH1A1ALOX15TSHRXIAP
SCHEMBL18360796 0.73 ALOX15 (1.00) KDM4EALDH1A1ALOX15TSHRXIAP
SCHEMBL31278555 0.73 ALOX15 (1.00) KDM4EALDH1A1ALOX15TSHRXIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI KDM4E 3179/4885ALDH1A1 3497/4885ALOX15 504/4885

“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.