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.

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