SCHEMBL12416599

SCHEMBL12416599

COc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.67
▸ S100B P04271 1/20 0.67
▸ CA1 P00915 7/20 0.66
▸ PTGS2 P35354 2/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ XDH P47989 1/20 0.57
▸ CYP1A2 P05177 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL11834607 1.00 CA2 (0.67) CA2S100BCA1PTGS2PTGS1
SCHEMBL11842667 1.00 CA2 (0.67) CA2S100BCA1PTGS2PTGS1
SCHEMBL27220325 0.88 XDH (0.60) CA2S100BCA1PTGS2PTGS1
SCHEMBL12416789 0.88 S100B (0.67) CA2S100BCA1PTGS2PTGS1
SCHEMBL10620151 0.88 S100B (0.67) CA2S100BCA1PTGS2PTGS1
SCHEMBL15479489 0.87 CA2 (0.71) CA2S100BCA1PTGS2PTGS1
SCHEMBL31397773 0.87 CA2 (0.86) CA2CA1PTGS2PTGS1KMT2A
SCHEMBL13310205 0.87 CA2 (0.86) CA2CA1PTGS2PTGS1KMT2A
SCHEMBL15367735 0.87 CA2 (0.86) CA2CA1PTGS2PTGS1KMT2A
SCHEMBL11438347 0.86 CA2 (0.76) CA2S100BCA1PTGS2PTGS1

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 2958/4885S100B 4126/4885CA1 1082/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA2 2958/4885S100B 4126/4885CA1 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.

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