SCHEMBL971533

SCHEMBL971533

CC(=O)Nc1nc(COc2ccc(CCOS(C)(=O)=O)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
HTT P42858 5/20 0.59
LMNA P02545 5/20 0.59
ALDH1A1 P00352 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
AOC3 Q16853 11/20 0.52
MAOB P27338 3/20 0.47
ADRB2 P07550 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL971401 0.85 NPC1 (0.72) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL16556647 0.85 NPC1 (0.72) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL972254 0.84 AOC3 (0.74) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL972558 0.84 NPC1 (0.70) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL973111 0.82 NPC1 (0.62) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL12919470 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL16965842 0.80 NPC1 (0.65) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL973243 0.80 NPC1 (0.76) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL972133 0.80 NPC1 (0.59) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL972294 0.80 AOC3 (0.61) SMN1; SMN2NPC1RAB9AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2676955-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-03-11 EP disclosed
EP-2676955-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-03-11 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 EP disclosed
EP-2252604-B1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2014-01-08 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
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA SMN1; SMN2 879/4885NPC1 36/4885RAB9A 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.