SCHEMBL3266534

SCHEMBL3266534

O=C(O)CSCCOc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
ALOX15 P16050 1/20 0.52
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 5/20 0.48
RECQL P46063 1/20 0.48
KCNA3 P22001 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PARP10 Q53GL7 1/20 0.47
PLA2G4B P0C869 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL5640766 0.91 HDAC1 (0.54) PKMALOX15MMP12MMP13ALDH1A1
SCHEMBL5637949 0.89 HDAC1 (0.59) PKMALOX15KCNA3HDAC1HDAC2
SCHEMBL5638148 0.86 PKM (0.55) PKMALOX15ALDH1A1RECQLKCNA3
SCHEMBL8731217 0.85 PKM (0.46) PKMALOX15MMP12MMP13ALDH1A1
SCHEMBL5637944 0.84 HDAC3 (0.51) ALDH1A1HDAC1HDAC2PLA2G4BMTNR1A
SCHEMBL5638721 0.84 PTPN7 (0.59) ALDH1A1HDAC1PLA2G4BKDM4EMEN1
SCHEMBL5641034 0.84 PLA2G4B (0.59) PKMALOX15ALDH1A1PLA2G4BKMT2A
SCHEMBL8671561 0.82 KCNA3 (0.64) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL2563648 0.82 ALDH1A1 (0.46) PKMALDH1A1HDAC1HDAC2PLA2G4B
SCHEMBL16256658 0.82 HDAC1 (0.52) PKMALDH1A1HDAC1HDAC2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299104-B2 Melanin hormone antagonist; therapy for obesity, type-2 diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-30 US disclosed
EP-1711494-B1 ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-06-09 EP disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-28 US disclosed
US-7319108-B2 Aryl-substituted heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-15 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
EP-1711494-A1 ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-10-18 EP disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4621098-A Thioethers and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1986-11-04 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 (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-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS CYP11B1, CYP11B2, GPR119 PKM 638/4885ALOX15 243/4885MMP12 1737/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R PKM 1481/4885ALOX15 610/4885MMP12 983/4885
US-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R PKM 2090/4885ALOX15 3315/4885MMP12 2226/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 PKM 2907/4885ALOX15 1817/4885MMP12 416/4885

“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.