SCHEMBL12416947

SCHEMBL12416947

CCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.61
CA1 P00915 5/20 0.60
PLA2G4B P0C869 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
PKM P14618 2/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
CASP3 P42574 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL12417133 1.00 CA2 (0.61) CA2CA1PLA2G4BSMN1; SMN2KMT2A
SCHEMBL12754102 0.89 CA2 (0.58) CA2CA1PLA2G4BKMT2AMEN1
SCHEMBL12417145 0.89 TP53 (0.62) CA2CA1PLA2G4BTP53
SCHEMBL12417148 0.89 TP53 (0.62) CA2CA1PLA2G4BTP53
SCHEMBL12417142 0.89 CA2 (0.58) CA2CA1PLA2G4BKMT2AMEN1
SCHEMBL19460597 0.89 L3MBTL1 (0.50) CA2CA1SMN1; SMN2KMT2AMEN1
SCHEMBL12416660 0.89 L3MBTL1 (0.50) CA2CA1SMN1; SMN2KMT2AMEN1
SCHEMBL6936827 0.87 SMN1; SMN2 (0.49) CA2CA1SMN1; SMN2KMT2AMEN1
SCHEMBL12417146 0.87 TP53 (0.68) CA2CA1PLA2G4BTP53
SCHEMBL12416627 0.86 KMT2A (0.57) SMN1; SMN2KMT2AMEN1MAPTKDM4E

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 CA2 2958/4885CA1 1082/4885PLA2G4B 690/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA2 2958/4885CA1 1082/4885PLA2G4B 690/4885

“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.