SCHEMBL2718131

SCHEMBL2718131

COC(C)[C@@]1(COS(C)(=O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ NT5E P21589 1/20 0.36
▸ P2RY2 P41231 4/20 0.32
▸ P2RY12 Q9H244 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GSTP1 P09211 2/20 0.31
▸ P2RY4 P51582 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ DUT P33316 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
SCHEMBL13834462 0.87 TDP1 (0.39) TDP1NT5EP2RY2P2RY12P2RY4
SCHEMBL2718172 0.83 GSTP1 (0.35) GSTP1
SCHEMBL16991400 0.81 TDP1 (0.40) TDP1NT5EP2RY2P2RY12MEN1
SCHEMBL17831310 0.81 TDP1 (0.40) TDP1NT5EP2RY2P2RY12MEN1
SCHEMBL16991403 0.81 TDP1 (0.40) TDP1NT5EP2RY2P2RY12MEN1
SCHEMBL14929374 0.80 TDP1 (0.41) TDP1NT5EP2RY2P2RY12P2RY4
SCHEMBL14946311 0.80 TDP1 (0.41) TDP1NT5EP2RY2P2RY12P2RY4
SCHEMBL2718175 0.79 ACHE (0.43) TDP1NT5E
SCHEMBL13722826 0.78 TDP1 (0.37) TDP1P2RY2P2RY4P2RY6
SCHEMBL2719694 0.77 PRMT6 (0.46) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088746-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-07-22 — — US disclosed
US-7750131-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
US-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-7666854-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-02-23 — — US disclosed
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-07-30 — — US disclosed
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-7547684-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-06-16 — — US disclosed
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC 2007-12-13 — — 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 (5 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-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT TDP1 211/4885NT5E 149/4885P2RY2 4213/4885
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT TDP1 211/4885NT5E 149/4885P2RY2 4213/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR TDP1 233/4885NT5E 21/4885P2RY2 2768/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR TDP1 233/4885NT5E 21/4885P2RY2 2768/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR TDP1 233/4885NT5E 21/4885P2RY2 2768/4885

“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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