SCHEMBL1966013

SCHEMBL1966013

CC1(C)OC[C@@H](COc2ccc(C(=O)O)cc2)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MAPK14 Q16539 4/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.41
PLA2G4B P0C869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 1/20 0.40
NPC1 O15118 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
SCHEMBL1964361 1.00 CA2 (0.43) CA2MAPK14TSHRMAPK1USP2
SCHEMBL21197731 1.00 CA2 (0.43) CA2MAPK14TSHRMAPK1USP2
SCHEMBL4012285 0.90 L3MBTL1 (0.47) CA2MAPK14L3MBTL1POLBSMN1; SMN2
SCHEMBL1587457 0.90 PLA2G4B (0.44) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL1587458 0.90 PLA2G4B (0.44) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL1968021 0.88 CA2 (0.43) CA2MAPK14HSD17B10TMEM97SIGMAR1
SCHEMBL1586804 0.87 RXRB (0.45) PLA2G4BNR4A2NPC1POLBRAB9A
SCHEMBL1586808 0.87 RXRB (0.45) PLA2G4BNR4A2NPC1POLBRAB9A
SCHEMBL9149708 0.87 MAPT (0.50) CA2MAPK14MAPK1CYP3A4L3MBTL1
SCHEMBL16387647 0.87 MAPT (0.46) CA2MAPK14TSHRL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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 (2 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 CA2 4343/4885MAPK14 2118/4885TSHR 1235/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 CA2 4343/4885MAPK14 2118/4885TSHR 1235/4885

“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.