SCHEMBL12416605

SCHEMBL12416605

CC(=O)c1ccc(/N=C/c2ccccc2O)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.71
▸ CA2 P00918 5/20 0.59
▸ CA1 P00915 4/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAOB P27338 5/20 0.50
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ CTRC Q99895 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46

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
Acetic Acid SCHEMBL1227199 0.85 SIRT2 (0.73) SIRT2CA2CA1CA12CA9
SCHEMBL5281257 0.85 TSHR (0.74) SIRT2CA2CA1CA12CA9
SCHEMBL5281255 0.85 TSHR (0.74) SIRT2CA2CA1CA12CA9
SCHEMBL2494084 0.84 SIRT2 (1.00) SIRT2CA2CA1CA12CA9
SCHEMBL2494083 0.84 SIRT2 (1.00) SIRT2CA2CA1CA12CA9
SCHEMBL6779696 0.84 SIRT2 (0.71) SIRT2CA2CA1CA12CA9
SCHEMBL6779692 0.84 SIRT2 (0.71) SIRT2CA2CA1CA12CA9
SCHEMBL12416792 0.83 MAPT (0.47) SIRT2CA2CA1CA9MAOB
SCHEMBL11412346 0.81 CA2 (0.51) SIRT2CA2CA1TSHRLMNA
SCHEMBL11412348 0.81 CA2 (0.51) SIRT2CA2CA1TSHRLMNA

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 SIRT2 2001/4885CA2 2958/4885CA1 1082/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 SIRT2 2001/4885CA2 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.

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