SCHEMBL6542189

SCHEMBL6542189

O=C(O)C1=C(O)c2ccccc2S(=O)(=O)N1c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
ELANE P08246 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL6542499 0.85 HSD11B1 (0.47) HSD11B1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL6541888 0.84 HSD11B1 (0.42) HSD11B1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL6542004 0.82 HSD11B1 (0.45) HSD11B1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL6542722 0.81 ELANE (0.38) HSD11B1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL6542017 0.76 EDNRA (0.47) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL6542551 0.75 LMNA (0.65) LMNAELANECA12CA2
SCHEMBL6541726 0.74 EDNRA (0.58) KDM4EUSP2PTGS2LMNAEDNRA
SCHEMBL2351157 0.74 HSD11B1 (0.66) HSD11B1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL6542549 0.73 EDNRA (0.46) HSD11B1KDM4EUSP2LMNAEDNRA
SCHEMBL6541955 0.73 EDNRA (0.50) HSD11B1KDM4EUSP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009743-B1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER LAMBERT CO (US) 2004-06-30 EP claimed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US claimed
US-6265399-B1 ALKYLATION; CYCLIZATION WARNER-LAMBERT COMPANY 2001-07-24 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 (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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB HSD11B1 1320/4885KDM4E 802/4885USP2 2763/4885

“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.