SCHEMBL972553

SCHEMBL972553

CC(=O)Nc1nc(C(=O)Nc2ccc(CCOC(=O)NNC(=O)OC(C)(C)C)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
DHFR P00374 3/20 0.43
AOC3 Q16853 6/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 3/20 0.41
PIM3 Q86V86 3/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAOB P27338 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
SCHEMBL970695 0.86 AOC3 (0.47) EGFRDHFRAOC3LMNAGAA
SCHEMBL973157 0.86 AOC3 (0.41) EGFRDHFRAOC3LMNAGAA
SCHEMBL972696 0.86 GAA (0.43) EGFRDHFRLMNAGAAALOX12
Hydrochloric Acid SCHEMBL973152 0.85 AOC3 (0.46) EGFRDHFRAOC3LMNAGAA
SCHEMBL4875145 0.84 L3MBTL1 (0.51) EGFRDHFRLMNAL3MBTL1PIM1
SCHEMBL972059 0.84 AOC3 (0.60) AOC3LMNASMN1; SMN2KMT2AMAOB
SCHEMBL972133 0.81 NPC1 (0.59) AOC3LMNAGAAMAPTSMN1; SMN2
SCHEMBL972993 0.78 AOC3 (0.60) AOC3LMNASMN1; SMN2KMT2AMAOB
SCHEMBL975251 0.77 AOC3 (0.56) AOC3LMNASMN1; SMN2KMT2AMAOB
SCHEMBL3403640 0.77 EGFR (0.51) EGFRDHFRGAAL3MBTL1PIM1

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 EGFR 3793/4885DHFR 4161/4885AOC3 438/4885

“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.