SCHEMBL472899

SCHEMBL472899

CCOC(=O)c1ncoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
FBP1 P09467 1/20 0.49
MLYCD O95822 1/20 0.47
IDO1 P14902 1/20 0.41
GAA P10253 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK2 P24941 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
SCHEMBL3654234 0.94 GSK3B (0.50) GSK3BMAPTKDM4EMEN1HSP90AA1
SCHEMBL8065368 0.85 GSK3B (0.58) GSK3BKDM4EMEN1KMT2AFBP1
SCHEMBL9585792 0.85 FBP1 (0.52) MAPTKDM4EFBP1GAAPOLB
SCHEMBL28550480 0.85 TARBP2 (0.55) GSK3BMEN1KMT2AFBP1IDO1
SCHEMBL9722608 0.84 FBP1 (0.53) GSK3BFBP1CDK2
SCHEMBL3125530 0.83 TARBP2 (0.56) MAPTKDM4EMEN1KMT2AFBP1
SCHEMBL9585840 0.83 GAA (0.60) MAPTKDM4EFBP1IDO1GAA
SCHEMBL15173602 0.83 FBP1 (0.52) GSK3BMEN1KMT2AFBP1IDO1
SCHEMBL5727790 0.82 FBP1 (0.69) GSK3BMAPTKDM4EMEN1KMT2A
SCHEMBL3119080 0.82 TARBP2 (0.57) GSK3BMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
CN-101835762-A 2-aminooxazole derivatives as TRPV antagonists useful for the treatment of pain ABBOTT LAB 2010-09-15 CN disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 GSK3B 3141/4885MAPT 728/4885KDM4E 3900/4885
US-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 GSK3B 2939/4885MAPT 4047/4885KDM4E 2600/4885

“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.