SCHEMBL974542

SCHEMBL974542

CC(C)(C)OC(=O)NNC(=O)OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
EPHX1 P07099 1/20 0.47
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.45
PPARD Q03181 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNH2 Q12809 2/20 0.44
KCNJ1 P48048 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6046651 0.89 ALDH1A1 (0.53) PPARGPPARAALOX5ALDH1A1MAPT
SCHEMBL972841 0.83 NPC1 (0.48) MAPTRAB9ANPC1
SCHEMBL30958155 0.83 MAPT (0.45) PPARGPPARAALDH1A1MAPTPPARD
SCHEMBL26448818 0.82 EPHX1 (0.52) EPHX1ALDH1A1MAPTTSHRKCNH2
SCHEMBL1717941 0.81 MAPT (0.56) PPARGPPARAALDH1A1MAPTRAB9A
SCHEMBL3558360 0.81 PPARG (0.49) PPARGPPARAALOX5ALDH1A1MAPT
SCHEMBL973836 0.81 NPC1 (0.46) RAB9ANPC1
SCHEMBL27262445 0.80 PPARG (0.48) PPARGPPARAEPHX1ALDH1A1MAPT
SCHEMBL4879584 0.79 MGLL (0.52) PPARGPPARAALDH1A1MAPTRAB9A
SCHEMBL5723717 0.78 ALDH1A1 (0.53) PPARGPPARAALDH1A1MAPTMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA PPARG 416/4885PPARA 228/4885EPHX1 3246/4885

“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.