SCHEMBL2208587

SCHEMBL2208587

CCCC([S])Oc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MCL1 Q07820 1/20 0.34
SLC6A4 P31645 3/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17366254 0.80 MCHR1 (0.48) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL20729405 0.74 L3MBTL1 (0.45) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL7507747 0.73 PPARG (0.66) ALDH1A1PPARGPPARAGAALMNA
SCHEMBL10361493 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL9060740 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL9060171 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL17366266 0.72 ALDH1A1 (0.47) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL27538708 0.71 PPARG (0.51) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL28470780 0.70 ALDH1A1 (0.46) L3MBTL1ALDH1A1PPARGPPARAGAA
SCHEMBL27290749 0.70 ALDH1A1 (0.46) L3MBTL1ALDH1A1PPARGPPARAGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981875-B2 Treating pancreatic cancer by administering cardenolide uscharin extracted from Calotropis procera plants UNIBIOSCREEN S.A. (BE) 2011-07-19 US disclosed
WO-2009033505-A1 HELLEBRIN DERIVATIVES UNIBIOSCREEN S.A. (BE) 2009-03-19 WO disclosed
US-20080261935-A1 2\" OXO-VORUSCHARIN AND DERIVATIVES THEREOF UNIBIOSCREEN S.A. (BE) 2008-10-23 US disclosed
EP-1709063-B1 GLYCOSYLATED STEROID DERIVATIVES WITH ANTI-MIGRATORY ACTIVITY UNIBIOSCREEN SA (BE) 2008-01-23 EP disclosed
US-7320971-B2 2″ oxo-voruscharin and derivatives thereof UNIBIOSCREEN S.A. (BE) 2008-01-22 US disclosed
US-20070123473-A1 Glycosylated steroid derivatives with anti-migratory activity UNIBIOSCREEN S.A. (BE) 2007-05-31 US disclosed
EP-1709063-A2 GLYCOSYLATED STEROID DERIVATIVES WITH ANTI-MIGRATORY ACTIVITY Unibioscreen S.A. (BE) 2006-10-11 EP disclosed
US-20060166952-A1 2\"oxo-voruscharin and derivatives thereof UNIVERSITE LIBRE DE BRUXELLES (BE) 2006-07-27 US disclosed
US-20060149045-A1 Steroid compounds with anti-tumor activity UNIBIOSCREEN S.A. (BE) 2006-07-06 US disclosed
EP-1551850-B1 2\" OXO-VORUSCHARIN AND DERIVATIVES THEREOF UNIBIOSCREEN SA (BE) 2006-05-24 EP disclosed
EP-1551850-A1 2\" OXO-VORUSCHARIN AND DERIVATIVES THEREOF Unibioscreen S.A. (BE) 2005-07-13 EP disclosed
WO-2005058934-A2 GLYCOSYLATED STEROID DERIVATIVES WITH ANTI-MIGRATORY ACTIVITY UNIBIOSCREEN S.A. (BE) 2005-06-30 WO disclosed
US-20050119338-A1 Combination of cytochome p450 dependent protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-02 US disclosed
EP-1458447-A2 COMBINATION OF CYTOCHOME P 450 DEPENDENT PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-09-22 EP disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004055039-A1 STEROID COMPOUNDS WITH ANTI-TUMOR ACTIVITY UNIBIOSCREEN S.A. (BE) 2004-07-01 WO disclosed
WO-2004033465-A1 2' OXO-VORUSCHARIN AND DERIVATIVES THEREOF UNIBIOSCREEN S.A. (BE) 2004-04-22 WO disclosed
EP-1408043-A1 2''oxo-voruscharin and analogues thereof Unibioscreen S.A. (BE) 2004-04-14 EP disclosed
WO-2003049746-A2 COMBINATION OF CYTOCHOME P450 DEPENDENT PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-06-19 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 (5 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-20080261935-A1 2\" OXO-VORUSCHARIN AND DERIVATIVES THEREOF RNASE1, FUT6, VNN1 L3MBTL1 3320/4885ALDH1A1 1882/4885PPARG 4401/4885
US-20070123473-A1 Glycosylated steroid derivatives with anti-migratory activity NR5A1, NR3C2, MIF L3MBTL1 4485/4885ALDH1A1 1462/4885PPARG 927/4885
US-20060149045-A1 Steroid compounds with anti-tumor activity CYP17A1, HSD17B7, NR5A1 L3MBTL1 4883/4885ALDH1A1 1197/4885PPARG 444/4885
US-20050119338-A1 Combination of cytochome p450 dependent protease inhibitors CYP27A1, CYP11A1, PITRM1 L3MBTL1 3412/4885ALDH1A1 1362/4885PPARG 3859/4885
US-20060166952-A1 2\"oxo-voruscharin and derivatives thereof VNN1, RPN2, FUT6 L3MBTL1 3181/4885ALDH1A1 1101/4885PPARG 4598/4885

“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.