SCHEMBL4612449

SCHEMBL4612449

CNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR1H2 P55055 4/20 0.43
ESR1 P03372 2/20 0.42
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.36
VDR P11473 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1H3 Q13133 2/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL5865830 0.76 NR1H2 (0.51) MEN1TSHRMAPK1KMT2ANR1H2
SCHEMBL5865852 0.75 TSHR (0.52) TSHRMAPK1NR1H2NR1I2NR1H3
SCHEMBL4610912 0.75 MEN1 (0.40) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL7256122 0.75 MAPK1 (0.40) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL2106514 0.74 MAPK1 (0.47) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14015053 0.74 ESR1 (0.49) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL1813640 0.73 NR1H2 (0.43) MEN1TSHRMAPK1KMT2AHSD17B10
SCHEMBL3420846 0.72 NR1H2 (0.43) MEN1KMT2ANR1H2ABCC9ABCC8
SCHEMBL7767149 0.70 CYP19A1 (0.56) MEN1TSHRMAPK1KMT2AESR1
SCHEMBL13736869 0.70 RORC (0.55) MEN1TSHRKMT2ANR1H2NR1I2

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
EP-1476423-B1 ARYLSULFONAMIDOBENZYLIC COMPOUNDS AMGEN INC (US) 2008-10-15 EP disclosed
US-7326812-B2 Lipid diseases; metabolism diosrders; antiproliferative agents AMGEN INC. (US) 2008-02-05 US disclosed
US-7071358-B2 Arylsulfonamidobenzylic compounds AMGEN INC. (US) 2006-07-04 US disclosed
US-20060122239-A1 Arylsulfonamidobenzylic compounds TULARIK INC. 2006-06-08 US disclosed
EP-1476423-A4 ARYLSULFONAMIDOBENZYLIC COMPOUNDS TULARIK INC (US) 2005-12-14 EP disclosed
EP-1476423-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS Tularik Inc. (US) 2004-11-17 EP disclosed
US-20030229093-A1 Arylsulfonamidobenzylic compounds TULARIK INC. 2003-12-11 US disclosed
WO-2003063576-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS TULARIK INC. (US) 2003-08-07 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 (2 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-20060122239-A1 Arylsulfonamidobenzylic compounds FASN, ARSA, HSD17B4 MEN1 2920/4885ALOX15 272/4885TSHR 1305/4885
US-20030229093-A1 Arylsulfonamidobenzylic compounds FASN, ARSA, HSD17B4 MEN1 2920/4885ALOX15 272/4885TSHR 1305/4885

“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.