SCHEMBL7639754

SCHEMBL7639754

O=C(N[C@@H]1C2CC(C2)C[C@@H]1CCO)c1csc2ccc(-c3ccccc3S(=O)(=O)O)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 7/20 0.35
FAAH O00519 1/20 0.34
TBXA2R P21731 3/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 3/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
BCL2L1 Q07817 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL7643697 0.90 PTGDR (0.38) PTGDRFAAHTBXA2RTHRBCNR2
SCHEMBL6865579 0.78 PTGDR (0.35) PTGDRFAAHTBXA2RCNR2MEN1
SCHEMBL7643696 0.76 PTGDR (0.55) PTGDRTBXA2R
SCHEMBL6869923 0.69 PTGDR (0.39) PTGDRFAAHTBXA2RMEN1USP2
SCHEMBL14514987 0.64 PTGDR (0.67) PTGDRTBXA2RHDAC1HDAC6HDAC3
SCHEMBL4648170 0.64 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL6866936 0.64 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL6866940 0.64 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL1761699 0.61 HDAC1 (0.51) PTGDRFAAHTBXA2RCNR2MEN1
SCHEMBL12586230 0.60 HSD11B1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7

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
US-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives HONMA TSUNETOSHI (JP) 2002-10-31 US disclosed
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives OKADA TETSUO (JP) 2002-10-24 US disclosed
US-6462241-B2 REACTING AN AMINO ALCOHOL WITH A BENZOTHIOPHENE, REACTING THE PRODUCT WITH A HALO OXACID IN THE PRESENCE OF 2,2,6,6-TETRA METHYLPIPERIDINE-1-OXYLS, FURTHER REACTING WITH AN YLIDE UNDER WITTIG REACTION CONDITIONS AND DEPROTECTING SHIONOGI & CO., LTD. (JP) 2002-10-08 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 (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-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 PTGDR 11/4885FAAH 602/4885TBXA2R 34/4885
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 PTGDR 11/4885FAAH 602/4885TBXA2R 34/4885

“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.