SCHEMBL6231818

SCHEMBL6231818

O=C(O)c1c(OS(=O)(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.45
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 2/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4643053 0.89 ACLY (0.41) ACLYHSD11B1LMNAMAPK1MCL1
SCHEMBL6232295 0.89 LMNA (0.41) ACLYHSD11B1LMNAMAPK1MCL1
SCHEMBL6233316 0.78 HSD11B1 (0.39) HSD11B1LMNAMCL1PTPN1PTPN2
SCHEMBL6151703 0.76 LMNA (0.53) ACLYLMNAMAPK1MCL1PTPN1
SCHEMBL12469781 0.71 ACLY (0.76) ACLYLMNAABCC1ABCG2METAP2
SCHEMBL6234185 0.69 MCL1 (0.55) ACLYLMNAMAPK1MCL1PTPN1
SCHEMBL941112 0.69 MCL1 (0.65) ACLYLMNAMAPK1MCL1PTPN1
SCHEMBL29664668 0.69 MCL1 (0.65) ACLYLMNAMAPK1MCL1PTPN1
SCHEMBL3495901 0.67 MCL1 (0.49) ACLYLMNAMAPK1MCL1PTPN1
SCHEMBL8666781 0.67 MCL1 (0.58) ACLYLMNAMAPK1MCL1ABCC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069122-B1 PROCESS FOR PRODUCING 5-HYDROXYBENZO [b]THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES SHIONOGI & CO (JP) 2005-06-29 EP disclosed
EP-1084711-B1 REMEDIES FOR THE TREATMENT OF ITCHING CONTAINING PGD2 ANTAGONISTS SHIONOGI & CO (JP) 2005-05-11 EP disclosed
EP-1528060-A1 Process for preparing 5-hydroxy[b]thiophene-3-carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2005-05-04 EP disclosed
EP-1069123-B1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO (JP) 2004-11-10 EP disclosed
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists SHIONOGI & CO., LTD. 2003-02-06 US disclosed
US-6506789-B2 For prophylaxis and therapy of itching derived from contact dermatitis, allergic conjunctivitis, urticaria, atopic dermatitis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
US-6495702-B2 SPECIFIC PGD2 ANTAGONISTS; STARTING MATERIALS FOR PRODUCING DRUGS SHIONOGI & CO., LTD. (JP) 2002-12-17 US disclosed
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-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-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HONMA TSUNETOSHI (JP) 2002-02-28 US disclosed
US-6346628-B1 REACTING 4-MERCAPTOPHENOL WITH A PROPARYGL GOUP AND PROTECTION OF HYDROXYL GROUP, OXIDIZING THE PRODUCT, AND THERMAL REARRANGEMENT TO CYCLIZE, FOLLOWED BY FURTHER OXIDATION SHIONOGI & CO., LTD. (JP) 2002-02-12 US disclosed
US-20020016476-A1 PROCESS FOR PREPARING 5-HYDROXYBENZO [B] THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES HONMA TSUNETOSHI (JP) 2002-02-07 US disclosed
US-6320060-B1 INTRODUCING PROPARGYL GROUP INTO 4-MERCAPTOPHENOL, PROTECTING HYDROXYL GROUP, OXIDIZING COMPOUND, SUBJECTING TO THERMAL REARRANGEMENT REACTION, SUBJECTING TO STEPWISE OXIDATION OF HYDROXYMETHYL GROUP AND OPTIONALLY DEPROTECTION SHIONOGI & CO., LTD. (JP) 2001-11-20 US disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 EP disclosed
EP-1069123-A1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed
EP-1069122-A1 PROCESS FOR PRODUCING 5-HYDROXYBENZO b]THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed
US-6083974-A BENZOTHIOPHENECARBOXAMIDE CONTAINING NORPINANE RING IS USEFUL FOR PREVENTING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-07-04 US disclosed
EP-0944614-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed
WO-1998025919-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1998-06-18 WO 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 (5 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-20020016476-A1 PROCESS FOR PREPARING 5-HYDROXYBENZO [B] THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES HPD, PTGDR2, PTGS2 ACLY 2844/4885HSD11B1 164/4885LMNA 3561/4885
US-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 ACLY 3383/4885HSD11B1 574/4885LMNA 1809/4885
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 ACLY 3383/4885HSD11B1 574/4885LMNA 1809/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 ACLY 2844/4885HSD11B1 164/4885LMNA 3561/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 ACLY 2696/4885HSD11B1 763/4885LMNA 3624/4885

“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.