SCHEMBL2201650

SCHEMBL2201650

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 16/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
FOXM1 Q08050 1/20 0.43
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4160648 1.00 ESRRA (0.47) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL2201781 0.95 ESRRA (0.48) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL13741508 0.92 ESRRA (0.49) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL2198899 0.90 ESRRA (0.50) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL4165691 0.90 ESRRA (0.50) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL4152564 0.89 ESRRA (0.54) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL2197524 0.89 ESRRA (0.54) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL4155731 0.88 ESRRA (0.51) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL2200704 0.88 ESRRA (0.51) ESRRAKMT2AMEN1NPC1USP2
SCHEMBL2202068 0.87 ESRRA (0.47) ESRRAKMT2AMEN1NPC1USP2

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 4 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

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 1/4885KMT2A 1309/4885MEN1 3649/4885

“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.