SCHEMBL12378424

SCHEMBL12378424

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
CNR1 P21554 3/20 0.34
LIPG Q9Y5X9 1/20 0.34
ABHD6 Q9BV23 1/20 0.33
GRM2 Q14416 1/20 0.33
KMT2A Q03164 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.31
CSNK1E P49674 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL12378400 0.91 LIPG (0.37) CNR2LIPGABHD6GRM2KMT2A
SCHEMBL13624038 0.90 CNR2 (0.35) CNR2LIPGABHD6GRM2KMT2A
SCHEMBL12378422 0.89 MAPT (0.37) CNR2CNR1LIPGABHD6GRM2
SCHEMBL12378434 0.88 LIPG (0.35) CNR2CNR1LIPGABHD6GRM2
SCHEMBL12378386 0.88 LIPG (0.35) CNR2LIPGABHD6GRM2ANO1
SCHEMBL12378402 0.88 LIPG (0.36) CNR2LIPGABHD6GRM2KMT2A
SCHEMBL13624054 0.88 SCN9A (0.38) CNR2LIPGABHD6GRM2KMT2A
SCHEMBL12378387 0.87 ANO1 (0.41) LIPGGRM2ANO1FFAR1LMNA
SCHEMBL13624053 0.87 GRM2 (0.39) LIPGGRM2ANO1FFAR1CSNK1E
SCHEMBL12378378 0.85 SLC2A1 (0.35) CNR2LIPGGRM2ANO1THRB

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS CNR2 4717/4885CNR1 4630/4885LIPG 2233/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CNR2 4794/4885CNR1 4703/4885LIPG 2306/4885

“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.