SCHEMBL3977036

SCHEMBL3977036

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
MAOB P27338 2/20 0.41
MAPT P10636 3/20 0.40
ENPP3 O14638 3/20 0.40
ENPP1 P22413 3/20 0.40
ENPP2 Q13822 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PTPN1 P18031 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
TBXAS1 P24557 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4643044 0.90 CA2 (0.45) CA12CA2TDP1MAOBMAPT
SCHEMBL6232289 0.90 CA12 (0.45) CA12CA2TDP1MAOBMAPT
SCHEMBL14462523 0.90 CA12 (0.45) CA12CA2TDP1MAOBMAPT
SCHEMBL6130757 0.81 KMT2A (0.49) SMN1; SMN2PTPN1HTTTBXAS1
SCHEMBL6233312 0.81 CYP2A6 (0.49) CA12CA2TDP1MAOBMAPT
SCHEMBL11777951 0.77 TDP1 (0.53) TDP1MAOBMAPTENPP3ENPP1
SCHEMBL6130765 0.76 MTNR1A (0.52) CA12CA2TDP1MAPTSMN1; SMN2
SCHEMBL6130728 0.73 KDM4E (0.54) MAPTLMNAHTTALDH1A1TBXAS1
SCHEMBL6234706 0.71 CA2 (0.80) CA12CA2TDP1MAOBENPP1
SCHEMBL3319330 0.70 IDO1 (0.46) CA12CA2MAPTPTPN1L3MBTL1

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
WO-2009060030-A1 HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2009-05-14 WO disclosed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed
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-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 (4 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 CA12 4348/4885CA2 862/4885TDP1 3016/4885
US-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 CA12 3200/4885CA2 592/4885TDP1 3653/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 CA12 4348/4885CA2 862/4885TDP1 3016/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 CA12 2382/4885CA2 368/4885TDP1 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.