SCHEMBL4591168

SCHEMBL4591168

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
GRIN2B Q13224 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
SCHEMBL4575726 0.92 GRIN2B (0.35) KDM4EMEN1KMT2AHIF1AALDH1A1
SCHEMBL4590935 0.91 MEN1 (0.35) KDM4EMEN1KMT2AHIF1AALDH1A1
SCHEMBL4575647 0.91 GRIN2B (0.34) KDM4EMEN1KMT2AHIF1AGRIN2B
SCHEMBL4905899 0.88 KDM4E (0.42) KDM4EMEN1KMT2AHIF1A
SCHEMBL4591644 0.86 MEN1 (0.39) MEN1KMT2AHIF1A
SCHEMBL4906363 0.86 MEN1 (0.37) KDM4EMEN1KMT2AHIF1AALDH1A1
SCHEMBL5545343 0.86 MEN1 (0.36) KDM4EMEN1KMT2AHIF1AALDH1A1
SCHEMBL4591077 0.86 MEN1 (0.39) MEN1KMT2AHIF1A
SCHEMBL4591362 0.84 MEN1 (0.34) KDM4EMEN1KMT2AHIF1AALDH1A1
SCHEMBL4576219 0.83 HIF1A (0.35) KDM4EMEN1KMT2AHIF1AALDH1A1

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 HCRTR1 4093/4885HCRTR2 4120/4885KDM4E 1139/4885

“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.