SCHEMBL4906169

SCHEMBL4906169

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CNCS(C)(=O)=O)cc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL4904320 0.91 LMNA (0.33) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4899867 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4590898 0.90 MEN1 (0.36) MEN1KMT2ANPC1TSHRHIF1A
SCHEMBL4905963 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067541 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4908679 0.86 MEN1 (0.38) MEN1KMT2ATSHRHIF1A
SCHEMBL4908814 0.86 KDM4E (0.41) KDM4EMEN1KMT2ANPC1TSHR
SCHEMBL4906165 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14076857 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4894901 0.85 KDM4E (0.42) 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 1 patent. 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

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.