SCHEMBL5100345

SCHEMBL5100345

O=C(O)C(=O)c1c(CO)n(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.48
NPC1 O15118 1/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSPO P30536 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL5097375 0.85 PLA2G2A (0.50) PLA2G2AAKR1B1GAAMAPTPKM
SCHEMBL5106347 0.82 PTGES2 (0.54) PLA2G2AAKR1B1PTGDR2
SCHEMBL3868032 0.77 SERPINE1 (0.62) PLA2G2A
SCHEMBL31222301 0.75 CYP19A1 (0.60) PLA2G2ANPC1AKR1B10AKR1A1AKR1B1
SCHEMBL2244878 0.75 CYP19A1 (0.60) PLA2G2ANPC1AKR1B10AKR1A1AKR1B1
SCHEMBL2246814 0.71 CYP19A1 (0.70) PLA2G2ANPC1HDAC1HDAC6MAPT
SCHEMBL17969632 0.70 NPC1 (0.51) PLA2G2ANPC1AKR1B10AKR1A1AKR1B1
SCHEMBL5571635 0.70 PLA2G2A (0.57) PLA2G2A
SCHEMBL6821095 0.69 PLA2G2A (0.60) PLA2G2ANPC1HDAC1HDAC8HDAC6
SCHEMBL4712873 0.68 MAPK8 (0.67) MAPK8

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 PLA2G2A 2018/4885NPC1 2392/4885AKR1B10 1898/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 PLA2G2A 1100/4885NPC1 1904/4885AKR1B10 1387/4885

“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.