Sugi Predict

Sugi Predict / Compounds / SCHEMBL6542016

SCHEMBL6542016

SCHEMBL6542016

COc1cc(C2=C(C(=O)O)N(c3ccccc3Br)S(=O)(=O)c3ccccc32)cc2c1OCO2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 5/20 0.62
▸ EDNRB P24530 4/20 0.39
▸ HCRTR2 O43614 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ABCB1 P08183 5/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL6541177 0.99 EDNRA (0.61) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6542000 0.92 EDNRA (0.53) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6541182 0.92 EDNRA (0.52) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6542402 0.91 EDNRA (0.62) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6542542 0.90 EDNRA (0.62) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6542020 0.89 EDNRA (0.49) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6541350 0.88 EDNRA (0.79) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6541258 0.88 EDNRA (0.61) EDNRAEDNRBHCRTR2MAPTABCB1
SCHEMBL6542440 0.85 EDNRA (0.55) EDNRAEDNRBMAPTABCB1LMNA
SCHEMBL6541726 0.85 EDNRA (0.58) EDNRAEDNRBLMNAKDM4EALDH1A1

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-1009743-B1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER LAMBERT CO (US) 2004-06-30 — — EP claimed
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2003-04-17 — — US claimed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 — — US claimed
US-6252070-B1 REACTING ARYL BROMIDE WITH BUTYLLITHIUM AND ZINC BROMIDE TO GIVE ARYL ZINC BROMIDE; REACTING WITH CORRESPONDING BENZOTHIAZINE COMPOUND WARNER-LAMBERT COMPANY 2001-06-26 — — US claimed

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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885EDNRB 3/4885HCRTR2 674/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885EDNRB 3/4885HCRTR2 674/4885

“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.