SCHEMBL2163791

SCHEMBL2163791

N#Cc1ccc(C([O])=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.51
TRPV4 Q9HBA0 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.47
TRPA1 O75762 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
S1PR1 P21453 4/20 0.45
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL393075 0.85 S1PR3 (0.51) S1PR3TRPV4KCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL6518510 0.83 S1PR3 (0.50) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL1953476 0.83 CYP11B2 (0.60) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL15464961 0.83 CYP11B2 (0.60) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL1274914 0.83 KCNQ3 (0.55) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL26447291 0.80 S1PR3 (0.48) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL1275177 0.79 TRPA1 (0.51) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL12670890 0.79 S1PR3 (0.57) S1PR3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL26447058 0.79 S1PR3 (0.50) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL393951 0.79 GSK3B (0.54) S1PR3TRPV4KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-2228376-B1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY KITASATO INST (JP) 2015-06-03 EP disclosed
US-8519128-B2 Pyripyropene derivatives having an ACAT2-inhibiting activity THE KITASATO INSTITUTE (JP) 2013-08-27 US disclosed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US disclosed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 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-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 S1PR3 2973/4885TRPV4 1118/4885KCNQ3 2055/4885

“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.