SCHEMBL2199573

SCHEMBL2199573

COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 13/20 0.51
FOXM1 Q08050 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
CISD1 Q9NZ45 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4156849 1.00 ESRRA (0.51) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL2197164 0.90 ESRRA (0.53) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL4153352 0.90 ESRRA (0.53) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL4157148 0.89 ESRRA (0.54) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL2200530 0.89 ESRRA (0.54) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL2200704 0.88 ESRRA (0.51) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL4155731 0.88 ESRRA (0.51) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL5613906 0.88 ESRRA (0.48) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL2197564 0.88 ESRRA (0.48) ESRRAFOXM1KMT2AMEN1NPC1
SCHEMBL2200143 0.88 ESRRA (0.47) ESRRAFOXM1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US claimed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP claimed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO claimed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US 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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 ESRRA 1/4885FOXM1 281/4885KMT2A 1309/4885

“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.