SCHEMBL6733544

SCHEMBL6733544

CCCc1cccc(OCCCF)c1S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARD Q03181 2/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2A P28223 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6545614 0.86 LTB4R (0.41) LTB4RLTB4R2PPARDMAPTL3MBTL1
SCHEMBL29469847 0.74 CA2 (0.44) LTB4RLTB4R2PPARDMAPTL3MBTL1
SCHEMBL18359070 0.71 L3MBTL1 (0.65) MAPTL3MBTL1NPSR1HPGDATM
SCHEMBL5411281 0.71 CYP2A6 (0.40) MAPTL3MBTL1NPSR1HPGD
SCHEMBL8409681 0.70 NR1H2 (0.40) NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6545305 0.69 L3MBTL1 (0.41) LTB4RLTB4R2MAPTL3MBTL1NPSR1
SCHEMBL8412566 0.67 HCRTR1 (0.37) DRD2CYP2C9CYP2C19
SCHEMBL7999552 0.66 PPARD (0.60) LTB4RLTB4R2PPARDMAPTL3MBTL1
SCHEMBL1500826 0.65 GABRA1 (0.46) DRD2DRD3HTR2A
SCHEMBL17961069 0.65 PPARD (0.55) LTB4RLTB4R2PPARDMAPTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157744-A1 Substituted fluoroalkoxyphenylsulfonyl-amino(thio)carbonyltriazolino(thi)ones BAYER CROPSCIENCE AG (DE) 2004-08-12 US 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-20040157744-A1 Substituted fluoroalkoxyphenylsulfonyl-amino(thio)carbonyltriazolino(thi)ones ROS1, RIF1, NAT1 LTB4R 1482/4885LTB4R2 1277/4885PPARD 3332/4885

“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.