SCHEMBL1271978

SCHEMBL1271978

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.85
GSK3A P49840 2/20 0.71
RPS6KA3 P51812 2/20 0.71
MAPK14 Q16539 2/20 0.71
EGFR P00533 2/20 0.68
ABL1 P00519 1/20 0.62
ABL2 P42684 1/20 0.62
ADORA1 P30542 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
PNP P00491 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
DNPH1 O43598 1/20 0.60
PRKAB2 O43741 1/20 0.60
TRPM2 O94759 1/20 0.60
LDHA P00338 1/20 0.60
ADRB2 P07550 1/20 0.60
FBP1 P09467 1/20 0.60

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
SCHEMBL9605293 0.92 ABCB1 (1.00) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL9607792 0.92 ABCB1 (1.00) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL611618 0.92 ABCB1 (1.00) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL4629734 0.92 ABCB1 (1.00) ABCB1GSK3ARPS6KA3MAPK14EGFR
Hydrochloric Acid SCHEMBL19666771 0.91 ABCB1 (0.98) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL441535 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL11644877 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL1272109 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL14471384 0.88 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL14025772 0.88 ABCB1 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034670-A1 BISUBSTRATE INHIBITORS OF PROTEIN KINASES AS THERAPEUTIC AGENTS BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2011-02-10 US disclosed
US-7799753-B2 Bisubstrate inhibitors of protein tyrosine kinases as therapeutic agents Board of Governers for Higher Education (US) 2010-09-21 US disclosed
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2007-07-26 US disclosed
WO-2005117932-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2005-12-15 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-20110034670-A1 BISUBSTRATE INHIBITORS OF PROTEIN KINASES AS THERAPEUTIC AGENTS SRC, PDXK, DSTYK ABCB1 1038/4885GSK3A 1119/4885RPS6KA3 433/4885
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS DSTYK, SRC, PTK2B ABCB1 975/4885GSK3A 1126/4885RPS6KA3 547/4885

“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.