SCHEMBL4083109

SCHEMBL4083109

CCc1ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
AKT1 P31749 2/20 0.35
CACNA1B Q00975 1/20 0.35
ABCB1 P08183 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4081997 0.90 KDM4E (0.39) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3189598 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTGAAAKT1
SCHEMBL4865232 0.80 MAPT (0.47) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL10564385 0.80 KDM4E (0.42) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL5308498 0.77 HSD17B10 (0.40) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL28420950 0.74 MIF (0.46) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12987017 0.74 MT-CO2 (0.38) KDM4EMAPTNPC1RAB9AAKT1
SCHEMBL31472213 0.74 MT-CO2 (0.38) KDM4EMAPTNPC1RAB9AAKT1
SCHEMBL14108121 0.73 RAB9A (0.41) MAPTNPC1RAB9AAKT1CYP1A2
SCHEMBL4199655 0.73 CA12 (0.38) KDM4EALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (2 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4E 4693/4885ALDH1A1 2400/4885MAPT 737/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4E 4691/4885ALDH1A1 2388/4885MAPT 631/4885

“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.