SCHEMBL6358756

SCHEMBL6358756

Cc1cn([C@H]2C[C@@](O)(COCc3ccccc3)[C@@H](C(=O)O)O2)c(=O)n(COCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LIPE Q05469 1/20 0.32
TK1 P04183 2/20 0.31
SRD5A2 P31213 1/20 0.31
BRD4 O60885 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6363661 0.87 ALDH1A1 (0.34) ALDH1A1TK1BRD4
SCHEMBL6362718 0.80 SMYD2 (0.33)
SCHEMBL6364960 0.79 ALDH1A1 (0.33) ALDH1A1BRD4ADORA2AADORA1
SCHEMBL6370802 0.76 ALDH1A1 (0.30) ALDH1A1BRD4
SCHEMBL6358753 0.76 TK1 (0.36) ALDH1A1TK1SMN1; SMN2S1PR1S1PR5
SCHEMBL6364884 0.76 ALDH1A1 (0.32) ALDH1A1BRD4
SCHEMBL6553111 0.75 TYMP (0.32)
SCHEMBL7788368 0.75 PDE4D (0.45) TK1SMN1; SMN2
SCHEMBL6364693 0.75 TYMP (0.34)
SCHEMBL6364958 0.74 ALDH1A1 (0.32) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900297-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1487855-A2 METHOD OF USING MODIFIED OLIGONUCLEOTIDES FOR HEPATIC DELIVERY ISIS Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
US-20040142899-A1 Compositions and methods for enhanced biostability and altered biodistribution of oligonucleotides in mammals ISIS PHARMACEUTICALS, INC. (US) 2004-07-22 US disclosed
US-6753423-B1 FOR PREFERENTIALLY MODULATED GENE EXPRESSION IN LIVER AND ASSOCIATED TISSUES ISIS PHARMACEUTICALS, INC. 2004-06-22 US disclosed
US-20030191075-A1 Method of using modified oligonucleotides for hepatic delivery ISIS PHARMACEUTICALS, INC. 2003-10-09 US disclosed
WO-2003072711-A2 METHOD OF USING MODIFIED OLIGONUCLEOTIDES FOR HEPATIC DELIVERY ISIS PHARMACEUTICALS, INC. (US) 2003-09-04 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 (2 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-20040142899-A1 Compositions and methods for enhanced biostability and altered biodistribution of oligonucleotides in mammals FABP1, RNASE1, RNGTT ALDH1A1 1651/4885LIPE 2301/4885TK1 38/4885
US-20030191075-A1 Method of using modified oligonucleotides for hepatic delivery FABP1, DCLRE1B, SLC10A1 ALDH1A1 2822/4885LIPE 2536/4885TK1 105/4885

“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.