SCHEMBL472419

SCHEMBL472419

Cc1ncoc1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
IMPDH1 P20839 1/20 0.47
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
TSHR P16473 2/20 0.35
MAPK14 Q16539 1/20 0.35
APP P05067 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL15929467 0.83 IMPDH2 (0.50) IMPDH2IMPDH1ALDH1A1NPC1RAB9A
SCHEMBL7886134 0.81 IMPDH2 (0.41) IMPDH2IMPDH1GAAGPR119MAPK14
SCHEMBL472455 0.80 MAPK14 (0.54) IMPDH2IMPDH1NPC1RAB9AMAPK14
SCHEMBL472411 0.80 GAA (0.49) IMPDH2IMPDH1GAAALDH1A1NPC1
SCHEMBL3998459 0.80 IMPDH2 (0.50) IMPDH2IMPDH1GAANPC1RAB9A
SCHEMBL6168845 0.80 IMPDH2 (0.47) IMPDH2IMPDH1GAAALDH1A1NPC1
SCHEMBL472364 0.79 IMPDH2 (0.39) IMPDH2IMPDH1MAPK14IDO1GSK3B
Methane SCHEMBL17941330 0.78 IMPDH2 (0.46) IMPDH2IMPDH1GAAALDH1A1NPC1
SCHEMBL472791 0.77 GSK3B (0.46) IMPDH2IMPDH1ALDH1A1NPC1RAB9A
SCHEMBL472459 0.76 ADRA2A (0.33) IMPDH2IMPDH1GAAALDH1A1NPC1

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 9 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
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
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 IMPDH2 1269/4885IMPDH1 843/4885GAA 364/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 IMPDH2 4461/4885IMPDH1 4147/4885GAA 3675/4885

“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.