SCHEMBL4575637

SCHEMBL4575637

CNC(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.33
HIF1A Q16665 6/20 0.33
RXFP1 Q9HBX9 6/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
CYP2C9 P11712 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
THRB P10828 1/20 0.31
RORC P51449 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
SCHEMBL4591660 0.89 CNR2 (0.35) MEN1KMT2AP2RX7HIF1ALMNA
SCHEMBL4894988 0.89 ALDH1A1 (0.40) MPOMEN1KMT2AP2RX7LMNA
SCHEMBL4576187 0.89 GRIN2B (0.36) HIF1AGRIN1GRIN2B
SCHEMBL14067526 0.88 MEN1 (0.38) MEN1KMT2AHIF1A
SCHEMBL4906937 0.88 KDM4E (0.42) MEN1KMT2AHIF1A
SCHEMBL4576606 0.87 MEN1 (0.37) MEN1KMT2AHIF1AGRIN1GRIN2B
SCHEMBL4906427 0.87 MEN1 (0.37) MEN1KMT2AHIF1ATP53GRIN1
SCHEMBL5545343 0.86 MEN1 (0.36) MEN1KMT2AHIF1ALMNAGRIN2B
SCHEMBL4591362 0.85 MEN1 (0.34) MEN1KMT2AHIF1AGRIN2B
SCHEMBL4591140 0.85 HIF1A (0.37) MEN1KMT2AHIF1ALMNAGRIN1

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 MPO 4111/4885MEN1 4841/4885KMT2A 682/4885

“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.