SCHEMBL6327634

SCHEMBL6327634

CCCCCN1C(=O)NC(=O)C(CC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MGLL Q99685 3/20 0.42
FAAH O00519 1/20 0.42
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC25A P30304 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP19A1 P11511 4/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL20607282 0.95 SMN1; SMN2 (0.41) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL14660249 0.83 ALDH1A1 (0.44) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL1426485 0.80 LMNA (0.41) MGLLKDM4EMEN1ALDH1A1MAPT
SCHEMBL28226624 0.79 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL10347768 0.79 GBA1 (0.43) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL20047912 0.75 SMN1; SMN2 (0.35) CNR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL3152073 0.75 SMN1; SMN2 (0.42) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL9363498 0.75 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL11103713 0.75 ALDH1A1 (0.46) PTGS1PTGS2MGLLFAAHCNR2
SCHEMBL15978110 0.74 MMP1 (0.52) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6909012-B2 Diflunisal esters and related compounds UNIVERSITY OF QUEENSLAND (AU) 2005-06-21 US disclosed
US-20030220497-A1 Novel diflunisal esters and related compounds THE UNIVERSITY OF QUEENSLAND 2003-11-27 US disclosed
US-6593365-B1 Method for treating and/or controlling thrombosis in a mammal, comprising administering to a mammal in need thereof an effective dosage of a compound having the formula: THE UNIVERSITY OF QUEENSLAND (AU) 2003-07-15 US disclosed
WO-1998046234-A1 NOVEL DIFLUNISAL ESTERS AND RELATED COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 1998-10-22 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-20030220497-A1 Novel diflunisal esters and related compounds HPGDS, ALOX12, ALOX15 PTGS1 7/4885PTGS2 14/4885MGLL 100/4885

“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.