SCHEMBL4590901

SCHEMBL4590901

CN(Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 3/20 0.31
GRIN2B Q13224 1/20 0.31
PER2 O15055 2/20 0.31
CRY1 Q16526 2/20 0.31
CRY2 Q49AN0 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HIF1A Q16665 3/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4591362 0.90 MEN1 (0.34) MEN1KMT2ATACR1GRIN2BHIF1A
SCHEMBL4906165 0.89 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1
SCHEMBL14067558 0.88 MEN1 (0.37) MEN1KMT2AHIF1AKDM4E
SCHEMBL4576778 0.88 TACR1 (0.33) MEN1KMT2ATACR1GRIN2BHIF1A
SCHEMBL4576606 0.86 MEN1 (0.37) MEN1KMT2AGRIN2BHIF1AKDM4E
SCHEMBL4576040 0.86 KMT2A (0.35) MEN1KMT2AGRIN2BHIF1A
SCHEMBL4576192 0.86 GRIN2B (0.38) GRIN2B
SCHEMBL5545343 0.85 MEN1 (0.36) MEN1KMT2AGRIN2BHIF1AKDM4E
SCHEMBL4590898 0.85 MEN1 (0.36) MEN1KMT2AGRIN2BHIF1A
SCHEMBL4576187 0.84 GRIN2B (0.36) GRIN2BHIF1A

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 682/4885TACR1 4257/4885

“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.