SCHEMBL12952940

SCHEMBL12952940

COC(=O)C(=O)N(CCCCc1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)c(N(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.41
DAGLA Q9Y4D2 5/20 0.39
MCHR1 Q99705 2/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ACP1 P24666 1/20 0.37
ABL1 P00519 1/20 0.36
DAGLB Q8NCG7 3/20 0.36
CHRM4 P08173 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
LPAR1 Q92633 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
SCHEMBL13580998 0.87 SERPINE1 (0.46) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL13581030 0.87 SERPINE1 (0.46) SERPINE1DAGLAMCHR1MRGPRX4DAGLB
SCHEMBL15434067 0.86 SERPINE1 (0.48) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL15434071 0.86 SERPINE1 (0.45) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL15434068 0.85 SERPINE1 (0.48) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL12952938 0.83 SERPINE1 (0.59) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL13580894 0.83 SERPINE1 (0.45) SERPINE1DAGLAFFAR4LPAR1
SCHEMBL12953171 0.83 SERPINE1 (0.44) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL13580908 0.82 SERPINE1 (0.46) SERPINE1DAGLAMCHR1FFAR4FFAR1
SCHEMBL13580905 0.82 SERPINE1 (0.43) SERPINE1DAGLAFFAR4FFAR1MRGPRX4

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 SERPINE1 2/4885DAGLA 3152/4885MCHR1 788/4885

“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.