SCHEMBL2217469

SCHEMBL2217469

C=CCc1ccc(C(C)C(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
PPARA Q07869 10/20 0.43
PPARG P37231 9/20 0.43
PPARD Q03181 2/20 0.42
CA2 P00918 1/20 0.40
APP P05067 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
PTGS2 P35354 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ATM Q13315 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
SCHEMBL2523786 0.84 MAPT (0.42) MAPTPPARAPPARGAPPCTSS
SCHEMBL2573117 0.81 CTSK (0.45) PPARAPPARGAPPCTSSCTSK
SCHEMBL3379781 0.81 CTSK (0.51) MAPTPPARAPPARGAPPCTSS
SCHEMBL4116995 0.81 CTSK (0.51) MAPTPPARAPPARGAPPCTSS
SCHEMBL844407 0.81 CTSK (0.51) MAPTPPARAPPARGAPPCTSS
SCHEMBL3414715 0.81 CTSK (0.51) MAPTPPARAPPARGAPPCTSS
SCHEMBL14250689 0.81 CTSK (0.51) MAPTPPARAPPARGAPPCTSS
SCHEMBL4683822 0.80 CTSK (0.46) APPCTSSCTSK
SCHEMBL22303774 0.80 CTSK (0.41) PPARAPPARGCA2APPCTSS
SCHEMBL6107389 0.80 CTSK (0.41) PPARAPPARGCA2APPCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 MAPT 3434/4885PPARA 2356/4885PPARG 2483/4885

“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.