SCHEMBL4576219

SCHEMBL4576219

CC(C)NC(=O)c1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
PTGER4 P35408 1/20 0.33
AHR P35869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4591644 0.91 MEN1 (0.39) HIF1AMEN1KMT2AAHRL3MBTL1
SCHEMBL4905469 0.89 KDM4E (0.42) HIF1AMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4591077 0.89 MEN1 (0.39) HIF1AMEN1KMT2AAHRL3MBTL1
SCHEMBL4907084 0.89 MEN1 (0.38) HIF1AITGB1ITGA4ITGB7MEN1
SCHEMBL5545343 0.85 MEN1 (0.36) HIF1AMEN1KMT2AGRIN2BKDM4E
SCHEMBL4575647 0.85 GRIN2B (0.34) HIF1AMEN1KMT2AGRIN2BKDM4E
SCHEMBL4591168 0.83 HCRTR1 (0.33) HIF1AMEN1KMT2AGRIN2BKDM4E
SCHEMBL5546555 0.83 HDAC3 (0.38) HIF1AMEN1KMT2AEGLN1GRIN2B
SCHEMBL4575726 0.83 GRIN2B (0.35) HIF1AMEN1KMT2AGRIN2BKDM4E
SCHEMBL5548083 0.83 MEN1 (0.35) HIF1AMEN1KMT2AGRIN2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 HIF1A 3129/4885ITGB1 2407/4885ITGA4 3136/4885

“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.