SCHEMBL12378377

SCHEMBL12378377

COc1ccc(COc2c3c(c(C(=O)N(C)C)c4cc(Cc5ccc(F)cc5)cnc24)CNC3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
GRM2 Q14416 3/20 0.35
ANO1 Q5XXA6 1/20 0.35
FFAR1 O14842 1/20 0.34
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
SLC2A4 P14672 1/20 0.32
SLC2A8 Q9NY64 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PPARA Q07869 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ROCK2 O75116 2/20 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
SCHEMBL12378261 0.87 TYK2 (0.36) SLC2A1GRM2ANO1FFAR1JAK2
SCHEMBL12378559 0.86 JAK2 (0.33) SLC2A1GRM2ANO1FFAR1JAK2
SCHEMBL12378378 0.85 SLC2A1 (0.35) SLC2A1GRM2ANO1FFAR1KEAP1
SCHEMBL12378267 0.84 CYP19A1 (0.36) SLC2A1GRM2ANO1FFAR1JAK2
SCHEMBL12378375 0.83 KDM5A (0.34) KDM5A
SCHEMBL12378321 0.81 KEAP1 (0.33) SLC2A1GRM2JAK2TYK2KEAP1
SCHEMBL12378406 0.77 PDE1B (0.33) SLC2A1GRM2ANO1FFAR1KEAP1
SCHEMBL12378387 0.76 ANO1 (0.41) SLC2A1GRM2ANO1FFAR1KEAP1
SCHEMBL12378408 0.76 TACR1 (0.36) SLC2A1
SCHEMBL13624053 0.76 GRM2 (0.39) SLC2A1GRM2ANO1FFAR1KEAP1

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 SLC2A1 4680/4885GRM2 4726/4885ANO1 4694/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI SLC2A1 4559/4885GRM2 4745/4885ANO1 4619/4885

“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.