SCHEMBL6233312

SCHEMBL6233312

O=S(=O)(Oc1ccc2scc(CO)c2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
TDP1 Q9NUW8 4/20 0.42
MAOB P27338 2/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
GAB1 Q13480 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3977036 0.81 CA12 (0.47) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL14462523 0.79 CA12 (0.45) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL6232289 0.79 CA12 (0.45) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL4643044 0.79 CA2 (0.45) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL6151456 0.73 MTNR1A (0.60) CYP2A6TDP1MTNR1AMTNR1BMAPT
SCHEMBL29930110 0.70 TDP1 (0.58) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL29930606 0.70 TDP1 (0.58) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL19735066 0.70 CYP2A6 (0.62) CYP2A6SMN1; SMN2MAPTALDH1A1KEAP1
SCHEMBL6234706 0.70 CA2 (0.80) CA2CA12TDP1MAOBSMN1; SMN2
SCHEMBL2248829 0.68 CYP2A6 (1.00) CYP2A6CA2MTNR1ASMN1; SMN2MAPT

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 8 patents. 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-1528060-A1 Process for preparing 5-hydroxy[b]thiophene-3-carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2005-05-04 EP disclosed
US-6495702-B2 SPECIFIC PGD2 ANTAGONISTS; STARTING MATERIALS FOR PRODUCING DRUGS SHIONOGI & CO., LTD. (JP) 2002-12-17 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-1069122-A1 PROCESS FOR PRODUCING 5-HYDROXYBENZO b]THIOPHENE-3-CARBOXYLIC ACID 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-20020016476-A1 PROCESS FOR PREPARING 5-HYDROXYBENZO [B] THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES HPD, PTGDR2, PTGS2 CYP2A6 53/4885CA2 862/4885CA12 4348/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 CYP2A6 53/4885CA2 862/4885CA12 4348/4885

“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.