SCHEMBL2201214

SCHEMBL2201214

COc1cc(CC2SC(=S)NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
ESRRA P11474 12/20 0.48
PTPN1 P18031 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 1/20 0.42
FOXM1 Q08050 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL12431793 0.77 ESRRA (0.43) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL12431789 0.76 ESRRA (0.44) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL12431784 0.76 ESRRA (0.47) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL12431792 0.76 ESRRA (0.44) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL2199307 0.76 ESRRA (0.44) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL8310042 0.76 CA2 (0.56) CA2PTPN1MEN1KMT2ASIRT2
SCHEMBL2200573 0.76 CISD1 (0.65) ESRRAMEN1KMT2AFOXM1
SCHEMBL12431787 0.75 L3MBTL1 (0.44) ESRRAMEN1NPC1USP2RAB9A
SCHEMBL8172766 0.75 SIRT2 (0.68) CA2PTPN1MEN1RAB9AKMT2A
SCHEMBL8309358 0.75 CA2 (0.52) CA2PTPN1MEN1KMT2ASIRT2

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 disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US disclosed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 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 (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 CA2 1758/4885ESRRA 1/4885PTPN1 1203/4885

“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.