SCHEMBL13580908

SCHEMBL13580908

CCN(CC)c1ccc(N(CCCc2ccccc2)C(=O)C(=O)OC)c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.46
CNR2 P34972 1/20 0.42
DAGLA Q9Y4D2 4/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ABL1 P00519 2/20 0.37
LPAR1 Q92633 2/20 0.36
PPARD Q03181 1/20 0.36
DAGLB Q8NCG7 2/20 0.36
NOX1 Q9Y5S8 1/20 0.36
MCHR1 Q99705 1/20 0.36
GCGR P47871 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
SCHEMBL12953171 0.93 SERPINE1 (0.44) SERPINE1CNR2DAGLAFFAR4FFAR1
SCHEMBL15434071 0.89 SERPINE1 (0.45) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL13580899 0.88 SERPINE1 (0.42) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL13580912 0.88 SERPINE1 (0.42) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL13580905 0.88 SERPINE1 (0.43) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL15434068 0.87 SERPINE1 (0.48) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL15434067 0.86 SERPINE1 (0.48) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL12952655 0.84 SERPINE1 (0.60) SERPINE1DAGLAFFAR4FFAR1MRGPRX4
SCHEMBL13580917 0.83 FFAR4 (0.47) SERPINE1DAGLAFFAR4FFAR1ABL1
SCHEMBL12952938 0.83 SERPINE1 (0.59) SERPINE1DAGLAFFAR4FFAR1DAGLB

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-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
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 2/4885CNR2 3482/4885DAGLA 3152/4885

“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.