SCHEMBL3418174

SCHEMBL3418174

O=S(=O)(N[C@H]1CCS(O)(O)C1)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3411214 1.00 MAPK1 (0.59) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3417817 1.00 MAPK1 (0.59) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3415502 0.91 MAPK1 (0.67) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3411208 0.84 KMT2A (0.63) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3417814 0.84 KMT2A (0.63) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3418171 0.84 KMT2A (0.63) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3416562 0.83 KDM4E (0.45) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL21407130 0.81 KMT2A (0.45) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3415505 0.80 MAPK1 (0.69) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL1659340 0.79 MAPK1 (0.83) MAPK1HTTSMN1; SMN2KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE MAPK1 97/4885HTT 3985/4885SMN1; SMN2 3855/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 MAPK1 155/4885HTT 3763/4885SMN1; SMN2 3281/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE MAPK1 97/4885HTT 3985/4885SMN1; SMN2 3855/4885

“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.