SCHEMBL2787149

SCHEMBL2787149

O=C(O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(I)C1(F)F)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ TYMP P19971 10/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL2787153 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2787154 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10017419 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL15849795 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL15849784 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786934 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL13848182 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786937 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10017428 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786939 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508528-B1 STEREOSELECTIVE SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORP (TW) 2015-02-25 — — EP disclosed
US-8765933-B2 Asynthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2014-07-01 — — US disclosed
US-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES PHARMAESSENTIA CORP. (TW) 2012-10-11 — — US disclosed
EP-2508528-A1 STEREOSELECTIVE SYNTHESIS OF BETA-NUCLEOSIDES Pharmaessentia Corp. (TW) 2012-10-10 — — EP disclosed
US-8193339-B2 Synthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2012-06-05 — — US disclosed
EP-2217247-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES Pharmaessentia Corp. (TW) 2010-08-18 — — EP disclosed
US-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORPORATION (TW) 2009-05-14 — — US disclosed
WO-2009061894-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORPORATION (TW) 2009-05-14 — — 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-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES ATIC, DPYD, DUT LGALS9 4392/4885LGALS1 4680/4885LGALS3 4779/4885
US-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES DUT, DCTD, UMPS LGALS9 2596/4885LGALS1 4006/4885LGALS3 4431/4885

“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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