SCHEMBL4906165

SCHEMBL4906165

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN(C)S(C)(=O)=O)cc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 2/20 0.34
ALOX5 P09917 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32

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
SCHEMBL4894901 0.91 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067541 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4904317 0.91 MEN1 (0.35) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4590901 0.89 MEN1 (0.32) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4905967 0.89 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4927680 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4899867 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14076857 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4906060 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4906169 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB

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 4 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
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US 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 ALDH1A1 2874/4885KDM4E 1139/4885MEN1 4841/4885

“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.