SCHEMBL4643044

SCHEMBL4643044

O=C(Cl)c1csc2ccc(OS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
MAOB P27338 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ENPP3 O14638 5/20 0.39
ENPP1 P22413 5/20 0.39
ENPP2 Q13822 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.37
ADAMTS4 O75173 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.90 CA12 (0.47) CA2CA12TDP1MAOBALPL
SCHEMBL6232289 0.88 CA12 (0.45) CA2CA12TDP1MAOBALPL
SCHEMBL14462523 0.88 CA12 (0.45) CA2CA12TDP1MAOBALPL
SCHEMBL6233312 0.79 CYP2A6 (0.49) CA2CA12TDP1MAOBALPL
SCHEMBL6865579 0.74 PTGDR (0.35) CA2CA12ENPP3ENPP1ENPP2
SCHEMBL6869923 0.73 PTGDR (0.39) CA2CA12ENPP3ENPP1ENPP2
SCHEMBL6236325 0.73 MTNR1A (0.43) CA2MAPTLMNAHTTNPC1
SCHEMBL6130757 0.72 KMT2A (0.49) SMN1; SMN2HTT
SCHEMBL1665211 0.70 TDP1 (0.64) CA2TDP1MAOBENPP3ENPP1
SCHEMBL645673 0.70 HDAC3 (0.62) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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 CA2 862/4885CA12 4348/4885TDP1 3016/4885
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols DOHH, OXER1, XDH CA2 1103/4885CA12 1213/4885TDP1 2618/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 CA2 862/4885CA12 4348/4885TDP1 3016/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 CA2 368/4885CA12 2382/4885TDP1 4594/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 CA2 368/4885CA12 2382/4885TDP1 4594/4885

“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.