SCHEMBL4612810

SCHEMBL4612810

COC(C)n1cccc1C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.37
CES1 P23141 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACHE P22303 2/20 0.33
HTT P42858 1/20 0.32
HDAC6 Q9UBN7 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3996427 0.84 HDAC4 (0.35) MLYCDCES1PTGS2CYP1A2CYP3A4
SCHEMBL3998511 0.80 CYP1A2 (0.37) PTGS2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3995617 0.76 CYP1A2 (0.35) PTGS2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4001621 0.74 HPGD (0.35) CES1PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL8888411 0.71 RAB9A (0.51) CES1HTT
SCHEMBL6385919 0.70 NPC1 (0.48) PTGS2CYP2C9CYP2C19
SCHEMBL4612812 0.68 NR1H2 (0.39) MLYCDHTT
SCHEMBL4611671 0.68 MLYCD (0.40) MLYCDACHEHTT
SCHEMBL8540804 0.67 CES1 (0.42) MLYCDCES1ACHEHTTHDAC6
SCHEMBL24966957 0.66 MAPK1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19

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 MLYCD 488/4885CES1 55/4885PTGS2 2187/4885
US-20030229093-A1 Arylsulfonamidobenzylic compounds FASN, ARSA, HSD17B4 MLYCD 488/4885CES1 55/4885PTGS2 2187/4885

“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.