Sugi Predict

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SCHEMBL337873

SCHEMBL337873

COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.75
▸ GSK3A P49840 2/20 0.72
▸ RPS6KA3 P51812 2/20 0.72
▸ MAPK14 Q16539 2/20 0.72
▸ EGFR P00533 2/20 0.65
▸ MARS1 P56192 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ ABL2 P42684 1/20 0.61
▸ ADORA1 P30542 2/20 0.61
▸ DNPH1 O43598 1/20 0.61
▸ PRKAB2 O43741 1/20 0.61
▸ TRPM2 O94759 1/20 0.61
▸ LDHA P00338 1/20 0.61
▸ ADRB2 P07550 1/20 0.61
▸ FBP1 P09467 1/20 0.61
▸ SRC P12931 1/20 0.61
▸ P2RY2 P41231 1/20 0.61
▸ P2RY1 P47900 1/20 0.61
▸ PRKAG1 P54619 1/20 0.61
▸ PRKAA2 P54646 1/20 0.61

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
SCHEMBL441535 0.89 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL11644877 0.89 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL6425805 0.89 ABCB1 (0.74) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL4916919 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL14025772 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL6907702 0.88 METTL3 (0.70) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL1271978 0.87 ABCB1 (0.85) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL9607792 0.86 ABCB1 (1.00) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL9501564 0.86 ABCB1 (0.71) ABCB1GSK3ARPS6KA3MAPK14MARS1
SCHEMBL10599345 0.86 GSK3A (0.68) ABCB1GSK3ARPS6KA3MAPK14EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097711-B2 nucleoside monomers protected with thioether substituted aryl carbonate protecting groups; oligonucleotides, using such protected nucleoside monomer monomers, as well as nucleic acids AGILENT TECHNOLOGIES, INC. (US) 2012-01-17 — — US disclosed
US-20080146787-A1 Thioether substituted aryl carbonate protecting groups AGILENT TECHNOLOGIES, INC. 2008-06-19 — — US disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 — — EP disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 — — EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 — — 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 (1 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-20080146787-A1 Thioether substituted aryl carbonate protecting groups NSUN2, NSUN3, TRDMT1 ABCB1 2351/4885GSK3A 2369/4885RPS6KA3 4600/4885

“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.