SCHEMBL2201616

SCHEMBL2201616

COc1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.67
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
ENPP2 Q13822 1/20 0.50
ESRRA P11474 6/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
FOXM1 Q08050 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 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
SCHEMBL5613976 1.00 MCHR1 (0.67) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2200925 0.94 MEN1 (0.65) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4151629 0.94 MEN1 (0.65) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL13751720 0.94 MEN1 (0.65) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2200663 0.93 MCHR1 (0.56) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL13751602 0.93 MCHR1 (0.56) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4156772 0.93 MCHR1 (0.56) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4163708 0.93 MEN1 (0.67) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2200716 0.93 MEN1 (0.67) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL13751759 0.93 MCHR1 (0.57) MCHR1MEN1KMT2AMAPTPOLB

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 MCHR1 523/4885MEN1 3649/4885KMT2A 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.