SCHEMBL4590898

SCHEMBL4590898

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3CNCS(C)(=O)=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 13/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.30
GRIN2B Q13224 1/20 0.30
MAPK14 Q16539 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
MAPK11 Q15759 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
SCHEMBL4576040 0.90 KMT2A (0.35) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4906169 0.90 ALDH1A1 (0.38) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4908814 0.90 KDM4E (0.41) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4908679 0.88 MEN1 (0.38) MEN1KMT2AHIF1ATSHRGRIN2B
SCHEMBL4905927 0.86 MEN1 (0.38) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4576606 0.85 MEN1 (0.37) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4590901 0.85 MEN1 (0.32) MEN1KMT2AHIF1AGRIN2B
SCHEMBL5545343 0.84 MEN1 (0.36) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL5548705 0.84 FEN1 (0.34) MEN1KMT2AHIF1A
SCHEMBL4591362 0.83 MEN1 (0.34) MEN1KMT2AHIF1AGRIN2B

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 MEN1 4841/4885KMT2A 682/4885HIF1A 3129/4885

“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.