SCHEMBL909418

SCHEMBL909418

O=C(O)[C@H]1COc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
GAA P10253 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 2/20 0.41
AIMP2 Q13155 1/20 0.41
IDH1 O75874 1/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CXCR5 P32302 1/20 0.40
APLNR P35414 1/20 0.40
CCR6 P51684 1/20 0.40
HTT P42858 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL909704 1.00 PTGS1 (0.47) PTGS1PTGS2GAARPS6KB2NPC1
SCHEMBL909420 1.00 PTGS1 (0.47) PTGS1PTGS2GAARPS6KB2NPC1
SCHEMBL909079 0.94 GAA (0.44) PTGS1PTGS2GAARPS6KB2NPC1
SCHEMBL909917 0.94 GAA (0.44) PTGS1PTGS2GAARPS6KB2NPC1
SCHEMBL909078 0.94 GAA (0.44) PTGS1PTGS2GAARPS6KB2NPC1
SCHEMBL1208766 0.85 NPC1 (0.55) RPS6KB2NPC1RAB9AAIMP2CYP2C19
SCHEMBL7446942 0.84 GAA (0.45) PTGS1PTGS2GAANPC1RAB9A
SCHEMBL1519446 0.80 RPS6KB2 (0.46) RPS6KB2NPC1RAB9AFFAR1CYP2C19
SCHEMBL1207688 0.79 NPC1 (0.49) RPS6KB2NPC1RAB9AAIMP2IDH1
SCHEMBL3733123 0.79 NPC1 (0.49) RPS6KB2NPC1RAB9AAIMP2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP claimed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO claimed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 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 (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-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PTGS1 186/4885PTGS2 209/4885GAA 3448/4885

“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.