SCHEMBL972696

SCHEMBL972696

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PTPN1 P18031 1/20 0.41
DHFR P00374 3/20 0.41
EGFR P00533 3/20 0.41
NAMPT P43490 2/20 0.41
PPID Q08752 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL971501 0.86 PTPN1 (0.48) GAAMAPTLMNAALOX12PTPN1
SCHEMBL972553 0.86 EGFR (0.43) GAAMAPTLMNAALOX12DHFR
SCHEMBL12947698 0.85 AOC3 (0.43) GAALMNAPPIDKMT2ASMN1; SMN2
SCHEMBL4875145 0.84 L3MBTL1 (0.51) HDAC1MAPTLMNADHFREGFR
SCHEMBL971841 0.83 AOC3 (0.57) GAALMNAKMT2ASMN1; SMN2
SCHEMBL974396 0.82 PTPN1 (0.47) GAAMAPTLMNAALOX12PTPN1
Hydrochloric Acid SCHEMBL3400344 0.81 PTPN1 (0.46) GAAMAPTLMNAALOX12PTPN1
SCHEMBL12947697 0.79 AOC3 (0.43) GAAMAPTKDM4ESMN1; SMN2
SCHEMBL7137162 0.78 MAPT (0.50) MAPTTDP1PTPN1MAPK1KDM4E
SCHEMBL7140433 0.78 MAPT (0.50) MAPTTDP1PTPN1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GAA 1369/4885HDAC1 273/4885HDAC6 450/4885

“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.