SCHEMBL2201951

SCHEMBL2201951

O=C1NC(=S)SC1=Cc1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 1/20 0.64
PTPN1 P18031 1/20 0.60
MMP3 P08254 1/20 0.58
MMP13 P45452 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.56
CISD1 Q9NZ45 1/20 0.55
PTGS2 P35354 1/20 0.53
CTSD P07339 8/20 0.53
CSNK2A2 P19784 1/20 0.51
CLK1 P49759 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
BLM P54132 1/20 0.51
NOD2 Q9HC29 1/20 0.51
ESRRA P11474 1/20 0.51

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
SCHEMBL7971175 0.87 MMP3 (0.67) FOXM1PTPN1MMP3MMP13ADAMTS5
SCHEMBL7971179 0.87 MMP3 (0.67) FOXM1PTPN1MMP3MMP13ADAMTS5
SCHEMBL2200573 0.86 CISD1 (0.65) FOXM1ADAMTS5CISD1DYRK1AMEN1
SCHEMBL4058937 0.84 PTPN1 (0.83) FOXM1PTPN1MMP3MMP13ADAMTS5
SCHEMBL4058938 0.84 PTPN1 (0.83) FOXM1PTPN1MMP3MMP13ADAMTS5
SCHEMBL5613820 0.84 CA2 (0.61) FOXM1PTPN1ADAMTS5CISD1DYRK1A
SCHEMBL2698909 0.80 FOXM1 (0.61) FOXM1PTPN1ESRRA
SCHEMBL2698902 0.80 FOXM1 (0.61) FOXM1PTPN1ESRRA
SCHEMBL2699394 0.80 HPGD (0.62) FOXM1PTPN1
SCHEMBL2699391 0.80 HPGD (0.62) FOXM1PTPN1

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 FOXM1 281/4885PTPN1 1203/4885MMP3 4306/4885

“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.