SCHEMBL472695

SCHEMBL472695

O=Cc1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
NOTUM Q6P988 1/20 0.38
TRPV1 Q8NER1 8/20 0.38
KIF11 P52732 1/20 0.37
IKBKB O14920 1/20 0.37
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.35
ALOX5 P09917 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAPT P10636 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
SCHEMBL11755633 0.78 MEN1 (0.44) CASP3NOTUMTRPV1KIF11IKBKB
SCHEMBL472556 0.76 MAPT (0.41) CASP3NOTUMTRPV1KIF11PTGS2
SCHEMBL27244036 0.76 MEN1 (0.43) CASP3NOTUMTRPV1KIF11IKBKB
SCHEMBL11752616 0.74 STAT3 (0.44) CASP3KIF11MEN1KMT2AALOX5
SCHEMBL472575 0.74 CASP3 (0.39) CASP3NOTUMTRPV1KIF11IKBKB
SCHEMBL11756970 0.74 STAT3 (0.44) CASP3KIF11MEN1KMT2AALOX5
SCHEMBL29158695 0.73 MMP2 (0.43) NOTUMIKBKBMEN1KMT2AMAPT
SCHEMBL472486 0.73 GSK3B (0.46) CASP3NOTUMTRPV1KIF11PTGS2
SCHEMBL472498 0.73 KIF11 (0.45) CASP3NOTUMTRPV1KIF11MEN1
SCHEMBL11749503 0.73 MEN1 (0.54) KIF11MEN1KMT2A

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 2715/4885NOTUM 3762/4885TRPV1 1/4885

“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.