SCHEMBL2718172

SCHEMBL2718172

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ BCHE P06276 4/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GSTA2 P09210 1/20 0.31
▸ GSTM1 P09488 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
SCHEMBL12306528 0.85 ALDH1A1 (0.37) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL5696092 0.84 ALDH1A1 (0.39) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL14511230 0.84 ALDH1A1 (0.39) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL5696091 0.84 ALDH1A1 (0.39) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL13722194 0.83 — —
SCHEMBL2718131 0.83 TDP1 (0.38) GSTP1
SCHEMBL5846888 0.80 ALDH1A1 (0.36) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL1098026 0.80 ALDH1A1 (0.36) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL1098024 0.80 ALDH1A1 (0.36) GSTP1ALDH1A1BCHECYP2D6MAPK1
SCHEMBL14511226 0.80 ALDH1A1 (0.36) GSTP1ALDH1A1BCHECYP2D6MAPK1

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 GSTP1 3277/4885ALDH1A1 3035/4885BCHE 1026/4885
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT GSTP1 3277/4885ALDH1A1 3035/4885BCHE 1026/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR GSTP1 4049/4885ALDH1A1 3273/4885BCHE 2468/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR GSTP1 4049/4885ALDH1A1 3273/4885BCHE 2468/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR GSTP1 4049/4885ALDH1A1 3273/4885BCHE 2468/4885

“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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