SCHEMBL3666847

SCHEMBL3666847

CC(C)(C)c1ccc2c(c1)OC[C@H](C(=O)O)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
AIMP2 Q13155 2/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
CCR6 P51684 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
CYP2C19 P33261 1/20 0.41
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1207688 1.00 NPC1 (0.49) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL3733123 1.00 NPC1 (0.49) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL1208766 0.94 NPC1 (0.55) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL909079 0.85 GAA (0.44) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL909917 0.85 GAA (0.44) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL909078 0.85 GAA (0.44) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL1519184 0.80 RAB9A (0.49) NPC1RAB9AMAPTCYP19A1L3MBTL1
SCHEMBL1107089 0.80 RAB9A (0.49) NPC1RAB9AMAPTCYP19A1L3MBTL1
SCHEMBL2054548 0.80 RAB9A (0.49) NPC1RAB9AMAPTCYP19A1L3MBTL1
SCHEMBL909418 0.79 PTGS1 (0.47) NPC1RAB9AAIMP2MAPTLMNA

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
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US claimed
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
EP-2240467-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-10-20 EP disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885AIMP2 2984/4885

“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.