SCHEMBL12416992

SCHEMBL12416992

COc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.64
▸ CA2 P00918 9/20 0.62
▸ CA9 Q16790 8/20 0.62
▸ CA1 P00915 7/20 0.62
▸ CA7 P43166 3/20 0.62
▸ CA12 O43570 5/20 0.59
▸ PTGS1 P23219 5/20 0.55
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL12416826 0.88 CA2 (0.72) PTGS2CA2CA9CA1CA7
SCHEMBL12416976 0.76 CA2 (0.73) PTGS2CA2CA9CA1CA7
SCHEMBL12416919 0.76 CA2 (0.77) PTGS2CA2CA9CA1CA7
SCHEMBL2318116 0.75 KDM4E (0.58) LMNASMN1; SMN2NPSR1
SCHEMBL18719844 0.73 CA2 (1.00) PTGS2CA2CA9CA1CA7
SCHEMBL18104349 0.72 PTGS2 (0.58) PTGS2CA2CA9CA1CA7
SCHEMBL12416806 0.71 PTGS2 (1.00) PTGS2CA2CA9CA1CA7
SCHEMBL5309203 0.71 PTGS2 (0.81) PTGS2CA2CA9CA1CA7
SCHEMBL5309207 0.71 PTGS2 (0.81) PTGS2CA2CA9CA1CA7
SCHEMBL5311501 0.71 PTGS2 (1.00) PTGS2CA2CA9CA1CA7

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 PTGS2 1147/4885CA2 2958/4885CA9 2391/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PTGS2 1147/4885CA2 2958/4885CA9 2391/4885

“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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