SCHEMBL1145069

SCHEMBL1145069

CCCCCc1cc(CCCCC)cc(N(CC)CCCS(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CNR2 P34972 6/20 0.41
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
FUT7 Q11130 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
SRC P12931 2/20 0.35
KCNH2 Q12809 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
SCHEMBL9446177 0.87 CNR2 (0.35) S1PR2S1PR1S1PR3CNR2
SCHEMBL23322413 0.83 GPR84 (0.55) GPR84S1PR2S1PR1S1PR3PTGS2
SCHEMBL9162575 0.82 S1PR2 (0.36) GPR84S1PR2S1PR1S1PR3CNR2
SCHEMBL23322335 0.81 S1PR2 (0.55) GPR84S1PR2S1PR1S1PR3PTGS2
SCHEMBL243317 0.79 CYP2C19 (0.37) CNR2CYP3A4
SCHEMBL9551526 0.78 CYP2C19 (0.36) CNR2CYP3A4
SCHEMBL5509286 0.78 CNR2 (0.34) CNR2CYP3A4TRPV1SRC
SCHEMBL244699 0.75 MAPT (0.37) CNR2
SCHEMBL5529306 0.74 MAPT (0.36) CNR2
SCHEMBL5526466 0.74 MAPT (0.36) CNR2

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
EP-1813680-B1 COMPOSITIONS FOR LIPASE ACTIVITY DETERMINATION AND METHOD OF DETERMINING ACTIVITY ASAHI KASEI PHARMA CORP (JP) 2011-11-09 EP disclosed
US-7883862-B2 comprising at least one diglyceride, a low concentration buffer, and a nonionic surfactant; for determining activity of pancreatic lipase or non-pancreatic lipases (such as hepatic lipase or lipoprotein lipase) in clinical laboratory tests ASAHI KASEI PHARMA CORPORATION (JP) 2011-02-08 US disclosed
US-20080038765-A1 Composition for Lipase Activity Determination and Method of Determing Activity ASAHI KASEI PHARMA CORPORATION (JP) 2008-02-14 US disclosed
EP-1813680-A1 COMPOSITIONS FOR LIPASE ACTIVITY DETERMINATION AND METHOD OF DETERMINING ACTIVITY Asahi Kasei Pharma Corporation (JP) 2007-08-01 EP 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-20080038765-A1 Composition for Lipase Activity Determination and Method of Determing Activity LPL, GK, LIPG GPR84 2869/4885S1PR2 2705/4885S1PR1 2647/4885

“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.