SCHEMBL9913499

SCHEMBL9913499

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)CC1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
POLA1 P09884 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
HINT1 P49773 4/20 0.32
P2RY1 P47900 1/20 0.32
TSHR P16473 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
SCHEMBL25505327 1.00 KDM4E (0.59) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL25504740 0.95 KDM4E (0.66) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL12017695 0.91 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL25504668 0.89 KDM4E (0.45) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL23898886 0.88 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL24102841 0.88 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL13255821 0.86 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL20248707 0.86 KDM4E (0.47) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL25680113 0.86 KDM4E (0.47) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL18510989 0.86 KDM4E (0.46) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1

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-8198251-B2 Combination motif immune stimulatory oligonucleotides with improved activity COLEY PHARMACEUTICAL GMBH (DE) 2012-06-12 US disclosed
US-20090087446-A1 COMBINATION MOTIF IMMUNE STIMULATORY OLIGONUCLEOTIDES WITH IMPROVED ACTIVITY COLEY PHARMACEUTICAL GMBH 2009-04-02 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-20090087446-A1 COMBINATION MOTIF IMMUNE STIMULATORY OLIGONUCLEOTIDES WITH IMPROVED ACTIVITY STING1, IFNG, RNGTT KDM4E 1390/4885POLA1 115/4885TAS1R3 3553/4885

“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.