SCHEMBL6129641

SCHEMBL6129641

COc1cc(OCC(=O)O)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
PLA2G2A P14555 15/20 0.45
PLA2G10 O15496 6/20 0.45
PLA2G1B P04054 6/20 0.45
PLA2G2E Q9NZK7 6/20 0.45
PLA2G5 P39877 5/20 0.45
PLA2G2F Q9BZM2 3/20 0.41
PLA2G2D Q9UNK4 3/20 0.41
PLA2G6 O60733 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41
FABP4 P15090 1/20 0.39

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
SCHEMBL818425 0.99 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL29862534 0.99 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL6129643 0.98 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL27862241 0.94 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL6699097 0.92 HTR6 (0.45) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL29863082 0.91 HTR6 (0.51) HTR6PLA2G2APLA2G10FABP4
SCHEMBL818490 0.91 HTR6 (0.51) HTR6PLA2G2APLA2G10FABP4
SCHEMBL2594431 0.91 HTR6 (0.45) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL28520129 0.90 PLA2G2A (0.41) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL6691695 0.90 HTR6 (0.44) HTR6PLA2G2APLA2G10PLA2G1BPLA2G2E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US claimed
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP claimed
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US claimed
US-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases ELI LILLY AND COMPANY 2003-05-15 US claimed
US-6514984-B1 Human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY 2003-02-04 US claimed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US claimed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP claimed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP claimed
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP disclosed
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US disclosed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6610728-B2 SPLA2 inhibitor, secretory phospholiase A2 inhibitors 1H-indole-3-glyoxylamide compound or a pharmaceutically acceptable salt, solvate, or a prodrug ELI LILLY AND COMPANY 2003-08-26 US disclosed
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP 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 (3 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-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days PLA2G12A, PLA2G2E, PLA2G3 HTR6 3251/4885PLA2G2A 24/4885PLA2G10 10/4885
US-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases SERPINB1, ELANE, SPINT2 HTR6 3778/4885PLA2G2A 127/4885PLA2G10 97/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA HTR6 1473/4885PLA2G2A 139/4885PLA2G10 43/4885

“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.