SCHEMBL5100347

SCHEMBL5100347

CC(=O)OCc1cc2cc(Br)ccc2n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.43
PLA2G2A P14555 2/20 0.43
CCR2 P41597 2/20 0.41
IDH1 O75874 1/20 0.41
PTGS2 P35354 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPK8 P45983 1/20 0.40
MCL1 Q07820 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CCR9 P51686 1/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL27616419 0.81 PLA2G2A (0.47) ALDH1A1NPC1PLA2G2ACCR2PTGS2
SCHEMBL4415758 0.79 BRD4 (0.48) NPC1PLA2G2ACCR2GPR35PPARG
SCHEMBL5097220 0.79 SRD5A2 (0.50) NPC1MAPTPPARG
SCHEMBL4417815 0.79 NPC1 (0.41) ALDH1A1NPC1PLA2G2AMAPTLMNA
SCHEMBL4944885 0.78 SERPINE1 (0.50) ALDH1A1PLA2G2ACCR2GAAPPARG
SCHEMBL5100968 0.77 SRD5A2 (0.47) NPC1MCL1CCR9PPARG
SCHEMBL4414074 0.76 NOD2 (0.65) ALDH1A1PLA2G2ACCR2PTGS2GAA
SCHEMBL27663338 0.76 CCR2 (0.71) CCR2MCL1GPR35CCR9
SCHEMBL5107271 0.74 NOD2 (0.43) CCR2GAAGPR35PPARG
SCHEMBL27616420 0.74 NPC1 (0.46) NPC1PLA2G2ACCR2PTGS2MAPT

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 ALDH1A1 1254/4885NPC1 2392/4885PLA2G2A 2018/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 ALDH1A1 783/4885NPC1 1904/4885PLA2G2A 1100/4885

“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.