SCHEMBL472653

SCHEMBL472653

FC(F)(F)c1ccc(-c2ocnc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
KIF11 P52732 5/20 0.42
CASP3 P42574 2/20 0.42
TRPV1 Q8NER1 2/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
S1PR1 P21453 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
NOTUM Q6P988 1/20 0.36
LTA4H P09960 1/20 0.36
S1PR3 Q99500 1/20 0.35

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
SCHEMBL27398917 0.79 MAPK14 (0.54) MAPK14NOTUM
SCHEMBL472518 0.79 IMPDH2 (0.47) GSK3BKIF11MAPK14MEN1KMT2A
SCHEMBL27252606 0.79 MEN1 (0.45) GSK3BKIF11CASP3MAPK14MEN1
SCHEMBL24212616 0.78 MAPK14 (0.53) GSK3BKIF11CASP3MAPK14MEN1
SCHEMBL472486 0.76 GSK3B (0.46) GSK3BKIF11CASP3TRPV1MAPK14
SCHEMBL472357 0.76 MPL (0.41) NOTUM
SCHEMBL27243828 0.75 KIF11 (0.42) GSK3BKIF11CASP3TRPV1MAPK14
SCHEMBL2874460 0.75 ADORA2A (0.50) MAPK14NOTUM
SCHEMBL472481 0.75 KIF11 (0.47) GSK3BKIF11CASP3MAPK14MEN1
SCHEMBL472380 0.75 HEXA (0.46) GSK3BKIF11CASP3TRPV1MAPK14

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 7 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
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 GSK3B 3141/4885KIF11 4072/4885CASP3 2715/4885

“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.