SCHEMBL5896073

SCHEMBL5896073

COc1cccc(COc2ccc(C=C(NC(=O)c3ccccc3O)C(=O)NCCO)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.48
SPHK1 Q9NYA1 5/20 0.48
APP P05067 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5896070 1.00 SPHK2 (0.48) SPHK2SPHK1APPKMT2AMEN1
SCHEMBL5896062 1.00 SPHK2 (0.48) SPHK2SPHK1APPKMT2AMEN1
SCHEMBL5895387 0.91 SPHK2 (0.45) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5895377 0.91 SPHK2 (0.45) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5895361 0.91 SPHK2 (0.45) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5897344 0.89 KMT2A (0.56) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5897338 0.89 KMT2A (0.56) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5897351 0.89 KMT2A (0.56) SPHK2SPHK1KMT2AMEN1KDM4E
SCHEMBL5896851 0.87 SPHK2 (0.52) SPHK2SPHK1APPKDM4EALDH1A1
SCHEMBL5896858 0.87 SPHK2 (0.52) SPHK2SPHK1APPKDM4EALDH1A1

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-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI SPHK2 3169/4885SPHK1 2916/4885APP 4619/4885

“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.