SCHEMBL3740328

SCHEMBL3740328

CCCCCCCCCCCC(=O)CC(=O)Nc1scc(C)c1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
MAPK8 P45983 5/20 0.44
MAPK10 P53779 5/20 0.44
MAPK9 P45984 4/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 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
SCHEMBL1864527 1.00 PPARG (0.46) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL1866493 1.00 PPARG (0.46) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL13041354 0.85 NPSR1 (0.51) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL4158380 0.81 NPSR1 (0.52) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL5233999 0.81 POLB (0.54) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL6030589 0.81 TSHR (0.47) ALDH1A1NPSR1GAAMAPTPOLB
SCHEMBL2993917 0.77 NPSR1 (0.46) PPARGNCOA2NCOA1HIF1AALDH1A1
SCHEMBL11468077 0.76 TP53 (0.62) ALDH1A1NPSR1GAAMAPTPOLB
SCHEMBL13040502 0.76 MAPK8 (0.60) ALDH1A1NPSR1GAAMAPTPOLB
SCHEMBL13019308 0.75 SMN1; SMN2 (0.54) ALDH1A1NPSR1GAAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS PPARG 1790/4885NCOA2 2565/4885NCOA1 3271/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS PPARG 1790/4885NCOA2 2565/4885NCOA1 3271/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 PPARG 2217/4885NCOA2 46/4885NCOA1 284/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH PPARG 3351/4885NCOA2 583/4885NCOA1 833/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS PPARG 1790/4885NCOA2 2565/4885NCOA1 3271/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 PPARG 2217/4885NCOA2 46/4885NCOA1 284/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS PPARG 1790/4885NCOA2 2565/4885NCOA1 3271/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 PPARG 2217/4885NCOA2 46/4885NCOA1 284/4885

“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.