SCHEMBL973157

SCHEMBL973157

CC(=O)Nc1nc(C(=O)Oc2ccc(CCOC(=O)NNC(=O)OC(C)(C)C)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 4/20 0.39
ABCB1 P08183 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL972198 0.88 AOC3 (0.39) AOC3L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL975090 0.86 AOC3 (0.46) AOC3L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL972553 0.86 EGFR (0.43) AOC3L3MBTL1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL973480 0.85 AOC3 (0.45) AOC3L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL972133 0.84 NPC1 (0.59) AOC3RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL972059 0.83 AOC3 (0.60) AOC3RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL973715 0.81 AOC3 (0.60) AOC3RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL972993 0.77 AOC3 (0.60) AOC3RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3404604 0.77 L3MBTL1 (0.42) L3MBTL1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL975251 0.76 AOC3 (0.56) AOC3RAB9ASMN1; SMN2NPC1LMNA

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-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-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 AOC3 438/4885L3MBTL1 558/4885RAB9A 1579/4885

“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.