SCHEMBL5100968

SCHEMBL5100968

CC(=O)OCc1cc2cc(OCc3ccccc3)ccc2n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
ALOX5AP P20292 2/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
F10 P00742 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
CCR9 P51686 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5097220 0.89 SRD5A2 (0.50) SRD5A2ALOX5APF10LTB4RLTB4R2
SCHEMBL5093653 0.87 CCR9 (0.55) CCR9MEN1NPC1RAB9AKMT2A
SCHEMBL5100159 0.80 PLA2G2A (0.49) ALOX5APNR4A2NR4A1NR4A3MEN1
SCHEMBL5100347 0.77 ALDH1A1 (0.46) MCL1CCR9PPARGNPC1
SCHEMBL23270840 0.76 ALOX5AP (0.54) SRD5A2ALOX5APF10LTB4RLTB4R2
SCHEMBL4944885 0.76 SERPINE1 (0.50) ALOX5APPPARG
SCHEMBL4205357 0.74 PPARG (0.61) SRD5A2F10CCR9LTB4RLTB4R2
SCHEMBL5100950 0.71 CCR9 (0.56) CCR9TP53SMN1; SMN2
SCHEMBL7241163 0.71 PPARG (0.59) SRD5A2F10LTB4RLTB4R2PPARG
SCHEMBL5097210 0.70 PLA2G2A (0.55) CCR9MEN1KMT2A

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-7459478-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-12-02 US disclosed
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-11-30 US disclosed
US-7101903-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-09-05 US disclosed
EP-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis WYETH (US) 2005-05-26 US disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 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 (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-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis FGB, SERPINE1, MMP1 SRD5A2 1288/4885ALOX5AP 1014/4885NR4A2 2220/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 SRD5A2 1451/4885ALOX5AP 786/4885NR4A2 2424/4885

“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.