SCHEMBL5218967

SCHEMBL5218967

[O-][S+]1c2ccccc2Cc2c(O)ccc(O)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL8078647 0.87 DRD2 (0.32) DRD2DRD1DRD5DRD3
SCHEMBL1615172 0.87 DRD2 (0.35) DRD2DRD1DRD5DRD3
SCHEMBL116183 0.81 DRD2 (0.42) DRD2DRD1DRD5DRD3BCL2L1
SCHEMBL8411757 0.81 ALDH1A1 (0.39) DRD2DRD1DRD5DRD3BCL2L1
SCHEMBL3159469 0.79 DRD2 (0.33) DRD2DRD1DRD5DRD3
SCHEMBL6712754 0.78
SCHEMBL17674771 0.78 CA1 (0.33) DRD2DRD1DRD5DRD3CA1
SCHEMBL3164236 0.76 DRD2 (0.35) DRD2DRD1DRD5DRD3
Ammonia Solution, Strong SCHEMBL1871983 0.75 MAOA (0.37) DRD2DRD1DRD5DRD3
SCHEMBL15405879 0.74 PNMT (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572676-A4 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RES INST INC (US) 2007-07-25 EP claimed
EP-1572676-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS Walker Cancer Research Institute, Inc. (US) 2005-09-14 EP claimed
US-6767919-B2 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG WALKER CANCER RESEARCH INSTITUTE, INC. 2004-07-27 US claimed
WO-2004058143-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. (US) 2004-07-15 WO claimed
US-20040116508-A1 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. 2004-06-17 US claimed
EP-1572676-A4 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RES INST INC (US) 2007-07-25 EP disclosed
EP-1572676-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS Walker Cancer Research Institute, Inc. (US) 2005-09-14 EP disclosed
US-20040192578-A1 High specificity anticancer drug design process WALKER EVAN HARRIS (US) 2004-09-30 US disclosed
US-6767919-B2 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG WALKER CANCER RESEARCH INSTITUTE, INC. 2004-07-27 US disclosed
WO-2004058143-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. (US) 2004-07-15 WO disclosed
US-20040116508-A1 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. 2004-06-17 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 (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-20040192578-A1 High specificity anticancer drug design process MCL1, ABCG2, TP53 DRD2 3833/4885DRD1 3559/4885DRD5 3570/4885

“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.