SCHEMBL3053974

SCHEMBL3053974

Cc1ccc(S(=O)(=O)Oc2cnc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALPL P05186 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
ENPP2 Q13822 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL14539001 0.82 ALDH1A1 (0.57) KDM4EALDH1A1KEAP1NFE2L2TDP1
SCHEMBL6882887 0.79 L3MBTL1 (0.77) ALDH1A1KEAP1NFE2L2TDP1L3MBTL1
SCHEMBL29870275 0.79 L3MBTL1 (0.77) ALDH1A1KEAP1NFE2L2TDP1L3MBTL1
SCHEMBL27843455 0.79 CYP1A2 (0.49) KDM4EALPLALDH1A1SMN1; SMN2LMNA
SCHEMBL3834089 0.77 KDM4E (0.66) KDM4EALPLALDH1A1GAASMN1; SMN2
SCHEMBL30618062 0.77 KDM4E (0.66) KDM4EALPLALDH1A1GAASMN1; SMN2
SCHEMBL16478927 0.76 ALDH1A1 (0.59) KDM4EALPLALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7094916 0.76 GAA (0.54) KDM4EALPLALDH1A1KEAP1NFE2L2
SCHEMBL19222682 0.75 KEAP1 (0.58) KDM4EALPLALDH1A1KEAP1NFE2L2
SCHEMBL2708721 0.74 ALPL (0.49) ALPLCYP1A2RAB9ACA12CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 EP disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 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 (1 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC KDM4E 2106/4885ALPL 3865/4885ALDH1A1 753/4885

“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.