SCHEMBL472575

SCHEMBL472575

FC(F)c1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
ALOX5 P09917 1/20 0.38
KIF11 P52732 4/20 0.38
IKBKB O14920 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.36
LTA4H P09960 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
TRPV1 Q8NER1 5/20 0.34
KDM1A O60341 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL472447 0.82 TRPV1 (0.37) CASP3ALOX5KIF11MEN1KMT2A
SCHEMBL11755633 0.79 MEN1 (0.44) CASP3ALOX5KIF11IKBKBMEN1
SCHEMBL472556 0.78 MAPT (0.41) CASP3ALOX5KIF11MEN1KMT2A
SCHEMBL27244036 0.78 MEN1 (0.43) CASP3ALOX5KIF11IKBKBMEN1
SCHEMBL11756970 0.75 STAT3 (0.44) CASP3ALOX5KIF11MEN1KMT2A
SCHEMBL11752616 0.75 STAT3 (0.44) CASP3ALOX5KIF11MEN1KMT2A
SCHEMBL472695 0.74 CASP3 (0.38) CASP3ALOX5KIF11IKBKBMEN1
SCHEMBL11749503 0.74 MEN1 (0.54) KIF11MEN1KMT2A
SCHEMBL472477 0.74 HEXA (0.50) CASP3KIF11IKBKBMEN1KMT2A
SCHEMBL472498 0.74 KIF11 (0.45) CASP3ALOX5KIF11MEN1KMT2A

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 CASP3 2715/4885ALOX5 792/4885KIF11 4072/4885

“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.