SCHEMBL6869923

SCHEMBL6869923

O=CC[C@H]1CC2CC(C2)[C@H]1NC(=O)c1csc2ccc(OS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 9/20 0.39
TBXA2R P21731 4/20 0.38
ENPP3 O14638 5/20 0.35
ENPP1 P22413 5/20 0.35
ENPP2 Q13822 4/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6865579 0.89 PTGDR (0.35) PTGDRTBXA2RENPP3ENPP1ENPP2
SCHEMBL6869920 0.86 PTGDR (0.56) PTGDRTBXA2R
SCHEMBL7643697 0.79 PTGDR (0.38) PTGDRTBXA2RFAAHMEN1USP2
SCHEMBL6865578 0.75 PTGDR (0.51) PTGDRTBXA2R
SCHEMBL5176774 0.75 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL4643044 0.73 CA2 (0.45) ENPP3ENPP1ENPP2CA2CA9
SCHEMBL3977036 0.73 CA12 (0.47) ENPP3ENPP1ENPP2CA2ALDH1A1
SCHEMBL6232289 0.71 CA12 (0.45) ENPP3ENPP1ENPP2CA2ALDH1A1
SCHEMBL14462523 0.71 CA12 (0.45) ENPP3ENPP1ENPP2CA2ALDH1A1
SCHEMBL7639754 0.69 PTGDR (0.35) PTGDRTBXA2RFAAHMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069123-B1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO (JP) 2004-11-10 EP disclosed
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives OKADA TETSUO (JP) 2002-10-24 US disclosed
US-6465662-B1 OXIDIZING 2-HYDROXYETHYL-10 NORPINAN-3-YL)-2-AMINE AMIDES OF OXY-SUBSTITUTED BENZOTHIOPHENECARBOXYLIC ACIDS TO FORM ALDEHYDES IN THE PRESENCE OF 2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYLS. SHIONOGI & CO., LTD. (JP) 2002-10-15 US disclosed
US-20020115871-A1 Process for preparing benzothiophenecarboxamide derivatives OKADA TETSUO (JP) 2002-08-22 US disclosed
US-6399788-B1 AMIDATION SHIONOGI & CO., LTD. (JP) 2002-06-04 US disclosed
EP-1069123-A1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 EP 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 (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-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 PTGDR 11/4885TBXA2R 34/4885ENPP3 2184/4885
US-20020115871-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 PTGDR 11/4885TBXA2R 34/4885ENPP3 2184/4885

“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.