SCHEMBL4643053

SCHEMBL4643053

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 1/20 0.36
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTPN2 P17706 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CNR2 P34972 2/20 0.33
ATM Q13315 1/20 0.33
CNR1 P21554 1/20 0.33
CA2 P00918 2/20 0.33
ADAMTS4 O75173 1/20 0.33

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 0.89 ACLY (0.45) ACLYTDP1HSD11B1LMNAMAPK1
SCHEMBL6232295 0.86 LMNA (0.41) ACLYTDP1HSD11B1LMNAMAPK1
SCHEMBL6233316 0.76 HSD11B1 (0.39) TDP1HSD11B1LMNAMCL1MAPT
SCHEMBL4646022 0.73 CNR1 (0.38) TDP1HSD11B1MAPK1MAPTENPP3
SCHEMBL27629193 0.69 MCL1 (0.53) TDP1LMNAMAPK1MCL1MAPT
SCHEMBL2721044 0.69 MCL1 (0.49) ACLYLMNAMAPK1MCL1MAPT
SCHEMBL6151703 0.65 LMNA (0.53) ACLYTDP1LMNAMAPK1MCL1
SCHEMBL1665211 0.65 TDP1 (0.64) TDP1MAPTENPP3ENPP1ALDH1A1
SCHEMBL15700018 0.64 LMNA (0.41) ACLYTDP1LMNAMAPK1MCL1
SCHEMBL12469781 0.63 ACLY (0.76) ACLYLMNAALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193243-B1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO (JP) 2008-08-13 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US 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-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols HONMA TSUNETOSHI (JP) 2004-09-02 US disclosed
US-6723857-B1 NORPINONE TO ITS BENZOTHIOPHENE CARBOXAMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-04-20 US 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-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 US disclosed
EP-1193243-A1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO., LTD. (JP) 2002-04-03 EP 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

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 2844/4885TDP1 3016/4885HSD11B1 164/4885
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols DOHH, OXER1, XDH ACLY 1010/4885TDP1 2618/4885HSD11B1 731/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 ACLY 2844/4885TDP1 3016/4885HSD11B1 164/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 ACLY 2696/4885TDP1 4594/4885HSD11B1 763/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 ACLY 2696/4885TDP1 4594/4885HSD11B1 763/4885

“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.