SCHEMBL6236325

SCHEMBL6236325

CC(=O)Oc1ccc2scc(C(=O)Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 3/20 0.43
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL6130728 0.87 KDM4E (0.54) MTNR1AMTNR1BKDM4ENPC1TSHR
SCHEMBL6596508 0.82 MTNR1A (0.42) MTNR1AMTNR1BKDM4ENPC1TSHR
SCHEMBL6230318 0.80 MTNR1A (0.46) MTNR1AMTNR1BKDM4ENPC1TSHR
SCHEMBL6984243 0.76 MTNR1A (0.43) MTNR1AMTNR1BKDM4ENPC1TSHR
SCHEMBL14034583 0.74 KDM4E (0.56) KDM4EPOLBLMNAMAPTMAPK1
SCHEMBL8555827 0.74 MTNR1A (0.56) MTNR1AMTNR1BKDM4ENPC1RAB9A
SCHEMBL3050845 0.73 HTT (0.46) KDM4ENPC1TSHRPOLBHTT
SCHEMBL4643044 0.73 CA2 (0.45) NPC1RAB9AHTTLMNAMAPT
SCHEMBL25030256 0.72 MTNR1A (0.64) MTNR1AMTNR1BACHE
SCHEMBL25987515 0.72 HTR1D (0.58) MTNR1AMTNR1B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1016660-B1 COMPOUNDS HAVING 2.2.1]BICYCLO SKELETON SHIONOGI & CO (JP) 2003-10-29 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
EP-0944614-B1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO (JP) 2002-09-11 EP disclosed
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 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
US-6225336-B1 FOR THERAPY OF SYSTEMIC MASTOCYTOSIS AND DISORDER OF SYSTEMIC MAST CELL ACTIVATION AS WELL AS TRACHEAL CONTRACTION, ASTHMA, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, URTICARIA, ISCHEMIC REPERFUSION INJURY, AND INFLAMMATION SHIONOGI & CO., LTD. (JP) 2001-05-01 US disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 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
EP-1016660-A1 COMPOUNDS HAVING 2.2.1]BICYCLO SKELETON SHIONOGI & CO., LTD. (JP) 2000-07-05 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 MTNR1A 1041/4885MTNR1B 270/4885KDM4E 1993/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 MTNR1A 1041/4885MTNR1B 270/4885KDM4E 1993/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 MTNR1A 80/4885MTNR1B 79/4885KDM4E 4756/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 MTNR1A 80/4885MTNR1B 79/4885KDM4E 4756/4885

“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.