SCHEMBL6233316

SCHEMBL6233316

O=S(=O)(Oc1sc2ccccc2c1CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
MCL1 Q07820 4/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.33
GPR3 P46089 1/20 0.32
ATM Q13315 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
SCHEMBL6231818 0.78 ACLY (0.45) HSD11B1TDP1ALDH1A1PTPN1PTPN2
SCHEMBL4643053 0.76 ACLY (0.41) HSD11B1TDP1ALDH1A1PTPN1PTPN2
SCHEMBL6232295 0.76 LMNA (0.41) HSD11B1TDP1ALDH1A1MCL1MAPT
SCHEMBL6233312 0.65 CYP2A6 (0.49) TDP1ALDH1A1MAPTCA12CA2
SCHEMBL10827877 0.64 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL6234710 0.63 CA2 (0.47) TDP1ALDH1A1CA12CA2BCL2L1
SCHEMBL5049332 0.63 LMNA (0.65) TDP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL9272529 0.63 PTPN2 (0.43) TDP1ALDH1A1PTPN1PTPN2MCL1
SCHEMBL13488465 0.61 PARL (0.47) HSD11B1TDP1ALDH1A1MAPTCA12
SCHEMBL29774731 0.61 PARL (0.47) HSD11B1TDP1ALDH1A1MAPTCA12

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 HSD11B1 164/4885TDP1 3016/4885ALDH1A1 241/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 HSD11B1 164/4885TDP1 3016/4885ALDH1A1 241/4885

“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.