SCHEMBL12416949

SCHEMBL12416949

NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.62
▸ CA9 Q16790 10/20 0.62
▸ CA1 P00915 10/20 0.62
▸ CA7 P43166 4/20 0.62
▸ PTGS2 P35354 9/20 0.60
▸ CA12 O43570 5/20 0.60
▸ NTRK1 P04629 1/20 0.58
▸ CDK1 P06493 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ PTGS1 P23219 6/20 0.56
▸ ALDH1A1 P00352 1/20 0.55

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
SCHEMBL4912911 0.85 KMT2A (0.57) ALDH1A1
SCHEMBL4912916 0.85 KMT2A (0.57) ALDH1A1
SCHEMBL18104349 0.80 PTGS2 (0.58) CA2CA9CA1CA7PTGS2
SCHEMBL12417067 0.77 PTGS2 (0.56) CA2CA9CA1CA7PTGS2
SCHEMBL5310957 0.76 PTGS2 (1.00) CA2CA9CA1CA7PTGS2
SCHEMBL1517598 0.76 PTGS2 (1.00) CA2CA9CA1CA7PTGS2
SCHEMBL5311443 0.72 PTGS2 (1.00) CA2CA9CA1CA7PTGS2
SCHEMBL5311444 0.72 PTGS2 (1.00) CA2CA9CA1CA7PTGS2
SCHEMBL3917467 0.72 KMT2A (0.67) ALDH1A1
SCHEMBL18719844 0.72 CA2 (1.00) CA2CA9CA1CA7PTGS2

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 2958/4885CA9 2391/4885CA1 1082/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA2 2958/4885CA9 2391/4885CA1 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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