SCHEMBL3449352

SCHEMBL3449352

NC(=O)c1ccc(S(=O)(=O)Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SIRT6 Q8N6T7 2/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
LCK P06239 1/20 0.36
CCR7 P32248 1/20 0.36
CCR6 P51684 1/20 0.36
NAMPT P43490 1/20 0.35
VNN1 O95497 1/20 0.35
GSK3B P49841 1/20 0.35
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29488691 0.81 KMT2A (0.47) KMT2ASIRT6KDM4EALDH1A1NNMT
SCHEMBL2697225 0.81 KMT2A (0.47) KMT2ASIRT6KDM4EALDH1A1NNMT
SCHEMBL3451428 0.79 NAMPT (0.46) KDM4EALDH1A1HSD17B10CA2TSHR
SCHEMBL28676474 0.79 KMT2A (0.45) KMT2ASIRT6KDM4EALDH1A1CCR7
SCHEMBL29488681 0.79 KMT2A (0.45) KMT2ASIRT6KDM4EALDH1A1CCR7
SCHEMBL15231829 0.77 HTR6 (0.47) KMT2ANAMPTVNN1P4HTM
SCHEMBL3153788 0.77 MAPK1 (0.57) KDM4EALDH1A1HSD17B10CA2LCK
SCHEMBL29926516 0.77 MAPK1 (0.57) KDM4EALDH1A1HSD17B10CA2LCK
SCHEMBL15530424 0.76 NAMPT (0.44) KMT2ANAMPTLMNA
SCHEMBL15530613 0.75 KMT2A (0.57) KMT2ACCR7CCR6NAMPTVNN1

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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008059238-A1 BENZENESULFONAMIDE COMPOUNDS AS EDG-1 ANTAGONISTS USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 KMT2A 2667/4885SIRT6 1196/4885KDM4E 2122/4885

“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.