SCHEMBL6331004

SCHEMBL6331004

COC(=O)COc1cc2c(c3c1cc(C)n3Cc1ccccc1-c1ccc(Br)s1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.48
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL6333130 0.87 PLA2G2A (0.55) PLA2G2ARAB9A
SCHEMBL6333002 0.83 PLA2G2A (0.73) PLA2G2A
SCHEMBL6330547 0.83 PLA2G2A (0.67) PLA2G2APOLBKMT2A
SCHEMBL6341055 0.81 PLA2G2A (0.66) PLA2G2ARAB9AMAPT
SCHEMBL6334884 0.80 PLA2G2A (0.66) PLA2G2AMAPT
SCHEMBL6339015 0.76 PLA2G2A (0.67) PLA2G2AMAPT
SCHEMBL6339096 0.76 PLA2G2A (0.72) PLA2G2A
SCHEMBL6340813 0.75 PLA2G2A (0.68) PLA2G2AMAPT
SCHEMBL6332702 0.73 PLA2G2A (0.39) PLA2G2AMAPTMEN1KMT2A
SCHEMBL6333369 0.71 PLA2G2A (0.65) PLA2G2A

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-6974831-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2005-12-13 US disclosed
US-20040077704-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-04-22 US disclosed
EP-1349834-A2 CYCLOALKYFUSED [G]-INDOLE COMPOUNDS AS SPLA2-INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2003-10-08 EP disclosed
WO-2002050030-A2 CYCLOALKYLFUSED [G]-INDOLE COMPOUNDS AS SPLA2-INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2002-06-27 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-20040077704-A1 Novel spla2 inhibitors PLAAT2, PLA2G12A, PLA2G4A PLA2G2A 19/4885RAB9A 4252/4885CYP1A2 2474/4885

“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.