SCHEMBL12417067

SCHEMBL12417067

CCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ CA9 Q16790 6/20 0.54
▸ CA2 P00918 5/20 0.54
▸ CA12 O43570 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA7 P43166 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ G6PD P11413 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 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
SCHEMBL18104349 0.87 PTGS2 (0.58) PTGS2PTGS1CA9CA2CA12
SCHEMBL12417042 0.85 KDM4E (0.58) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417073 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417040 0.83 KDM4E (0.54) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417005 0.83 KDM4E (0.54) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417034 0.83 KMT2A (0.56) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417035 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417062 0.83 KMT2A (0.67) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417052 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL12417058 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AHPGDMAPK1

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 1147/4885PTGS1 791/4885CA9 2391/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PTGS2 1147/4885PTGS1 791/4885CA9 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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