SCHEMBL4898545

SCHEMBL4898545

CCOC(=O)c1c(OC)c2ncc(Cc3ccc(F)cc3CNS(C)(=O)=O)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
SHMT2 P34897 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14614288 0.91 TSHR (0.35) POLBMEN1PABPC1KMT2ALMNA
SCHEMBL4909342 0.91 ALDH1A1 (0.35) POLBMEN1PABPC1KMT2AMAPT
SCHEMBL4904320 0.91 LMNA (0.33) POLBMEN1PABPC1KMT2ASHMT2
SCHEMBL4899867 0.91 ALDH1A1 (0.39) POLBMEN1PABPC1KMT2ALMNA
SCHEMBL14067537 0.90 ALDH1A1 (0.37) POLBMEN1PABPC1KMT2ALMNA
SCHEMBL4907852 0.88 ALDH1A1 (0.38) POLBMEN1PABPC1KMT2ALMNA
SCHEMBL4900456 0.88 ALDH1A1 (0.33) POLBMEN1PABPC1KMT2AMAPT
SCHEMBL4904317 0.88 MEN1 (0.35) POLBMEN1PABPC1KMT2ASHMT2
SCHEMBL4907766 0.87 ALDH1A1 (0.36) POLBMEN1PABPC1KMT2ALMNA
SCHEMBL4903149 0.87 ALDH1A1 (0.36) POLBMEN1PABPC1KMT2AMAPT

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 2 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 disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US 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 POLB 117/4885MEN1 4841/4885PABPC1 2651/4885

“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.