SCHEMBL4611671

SCHEMBL4611671

CC(C)CCn1cccc1C(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.40
ELANE P08246 2/20 0.36
ACHE P22303 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL28703124 0.81 HTT (0.44) CYP2D6HTTALDH1A1GRM2
SCHEMBL6823635 0.81 LMNA (0.46) CYP2D6HTTALDH1A1GRM2
SCHEMBL4612812 0.79 NR1H2 (0.39) MLYCDHTTALDH1A1
SCHEMBL29225360 0.77 LMNA (0.40) HTTALDH1A1
SCHEMBL3996429 0.77 NR1H2 (0.41) ALDH1A1
SCHEMBL8888411 0.73 RAB9A (0.51) HTT
SCHEMBL28740014 0.72 CNR2 (0.40) CYP2D6HTTALDH1A1
SCHEMBL28715744 0.71 LMNA (0.46) ALDH1A1GRM2
SCHEMBL28740084 0.71 MAPT (0.43) ACHECYP2D6ALDH1A1
SCHEMBL29020286 0.71 NPC1 (0.48) ELANEALDH1A1GRM2

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 488/4885ELANE 1433/4885ACHE 4788/4885
US-20030229093-A1 Arylsulfonamidobenzylic compounds FASN, ARSA, HSD17B4 MLYCD 488/4885ELANE 1433/4885ACHE 4788/4885

“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.