SCHEMBL12416606

SCHEMBL12416606

Fc1ccc(/C=N/c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.67
CA2 P00918 5/20 0.67
CA1 P00915 4/20 0.67
CA9 Q16790 2/20 0.67
PTGS1 P23219 2/20 0.67
CA12 O43570 1/20 0.67
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL2455348 1.00 PTGS2 (0.67) PTGS2CA2CA1CA9PTGS1
SCHEMBL20186948 1.00 PTGS2 (0.67) PTGS2CA2CA1CA9PTGS1
SCHEMBL2455350 1.00 PTGS2 (0.67) PTGS2CA2CA1CA9PTGS1
SCHEMBL5206541 0.89 CA2 (0.57) PTGS2CA2CA1CA9PTGS1
SCHEMBL10045762 0.89 CA2 (0.61) PTGS2CA2CA1CA9PTGS1
SCHEMBL10024994 0.89 ALDH1A1 (0.62) PTGS2CA2CA1CA9PTGS1
SCHEMBL1033699 0.89 CA2 (0.61) PTGS2CA2CA1CA9PTGS1
SCHEMBL22366969 0.89 ALDH1A1 (0.62) PTGS2CA2CA1CA9PTGS1
SCHEMBL10002111 0.89 ALDH1A1 (0.62) PTGS2CA2CA1CA9PTGS1
SCHEMBL5451838 0.89 PTGS2 (0.62) PTGS2CA2CA1CA9PTGS1

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 7 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
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PTGS2 1147/4885CA2 2958/4885CA1 1082/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PTGS2 1147/4885CA2 2958/4885CA1 1082/4885

“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.