SCHEMBL13624038

SCHEMBL13624038

COc1ccc(COc2c3c(c(C(=O)NC(C)(C)C(=O)OC(C)(C)C)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
LIPG Q9Y5X9 1/20 0.33
KMT2A Q03164 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA6 Q16445 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
FFAR1 O14842 1/20 0.30
CSNK1E P49674 1/20 0.30
GRM2 Q14416 1/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL12378424 0.90 CNR2 (0.38) CNR2LIPGKMT2AANO1MAPT
SCHEMBL12378400 0.89 LIPG (0.37) CNR2LIPGKMT2AANO1MAPT
SCHEMBL12378434 0.87 LIPG (0.35) CNR2LIPGKMT2AANO1MAPT
SCHEMBL12378386 0.86 LIPG (0.35) CNR2LIPGANO1MAPTTHRB
SCHEMBL12378402 0.86 LIPG (0.36) CNR2LIPGKMT2AANO1MAPT
SCHEMBL13624054 0.86 SCN9A (0.38) CNR2LIPGKMT2AANO1MAPT
SCHEMBL12378387 0.86 ANO1 (0.41) LIPGANO1KEAP1NFE2L2FFAR1
SCHEMBL12378422 0.85 MAPT (0.37) CNR2LIPGKMT2AANO1MAPT
SCHEMBL13624053 0.85 GRM2 (0.39) LIPGANO1KEAP1NFE2L2FFAR1
SCHEMBL12378378 0.84 SLC2A1 (0.35) CNR2LIPGANO1THRBKEAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS CNR2 4717/4885LIPG 2233/4885KMT2A 1657/4885

“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.