SCHEMBL12754102

SCHEMBL12754102

CCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 5/20 0.54
CYP2C9 P11712 1/20 0.52
RARB P10826 4/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
PLA2G4A P47712 1/20 0.49

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
SCHEMBL12417142 1.00 CA2 (0.58) CA2CA1MEN1KMT2ATP53
SCHEMBL12417145 0.95 TP53 (0.62) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12417148 0.95 TP53 (0.62) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12417146 0.92 TP53 (0.68) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12417139 0.91 TP53 (0.70) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12417141 0.91 TP53 (0.70) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12417140 0.91 TP53 (0.70) CA2CA1TP53TSHRPLA2G4B
SCHEMBL7734675 0.91 TP53 (0.70) CA2CA1TP53TSHRPLA2G4B
SCHEMBL12416947 0.89 CA2 (0.61) CA2CA1MEN1KMT2ATP53
SCHEMBL12417133 0.89 CA2 (0.61) CA2CA1MEN1KMT2ATP53

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-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 (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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA2 2958/4885CA1 1082/4885MEN1 392/4885

“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.