SCHEMBL2200704

SCHEMBL2200704

CCNC1=NC(=O)C(=Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)S1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 15/20 0.51
FOXM1 Q08050 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4155731 1.00 ESRRA (0.51) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL2198899 0.93 ESRRA (0.50) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL4165691 0.93 ESRRA (0.50) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL4153352 0.91 ESRRA (0.53) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL2197164 0.91 ESRRA (0.53) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL2197524 0.91 ESRRA (0.54) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL4152564 0.91 ESRRA (0.54) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL4157148 0.91 ESRRA (0.54) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL2200530 0.91 ESRRA (0.54) ESRRAFOXM1MEN1KMT2APOLB
SCHEMBL2202068 0.90 ESRRA (0.47) ESRRAFOXM1MEN1KMT2APOLB

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 8 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-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 281/4885MEN1 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.