SCHEMBL12416951

SCHEMBL12416951

COC(=O)c1ccc(/N=C/c2cc(OC)cc(Br)c2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.71
CA2 P00918 8/20 0.71
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
CA12 O43570 1/20 0.45
ACHE P22303 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G1B P04054 1/20 0.44
HPGD P15428 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAOB P27338 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL12416945 0.81 CA1 (0.49) CA1CA2CA12ACHECA9
SCHEMBL4131132 0.79 CA1 (0.65) CA1CA2PTGS2PTGS1ALDH1A1
SCHEMBL15600629 0.78 CA1 (0.73) CA1CA2PTGS2PTGS1CA12
SCHEMBL12416948 0.78 MAPT (0.53) CA1CA2PTGS2PTGS1SIRT1
SCHEMBL12416956 0.77 MAPT (0.48) CA1CA2CA12ACHECA9
SCHEMBL15600606 0.77 MAOB (0.63) CA1CA2CA12ACHECA9
SCHEMBL12767375 0.76 S100B (0.50) CA1CA2CA12ACHECA9
SCHEMBL11438344 0.75 CA2 (0.76) CA1CA2PTGS2PTGS1CA12
SCHEMBL11438347 0.75 CA2 (0.76) CA1CA2PTGS2PTGS1CA12
SCHEMBL13038181 0.75 CA2 (0.76) CA1CA2PTGS2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA1 1082/4885CA2 2958/4885PTGS2 1147/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA1 1082/4885CA2 2958/4885PTGS2 1147/4885

“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.