SCHEMBL656844

SCHEMBL656844

COC(=O)COc1ccc(S)cc1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL377848 0.86 ESR1 (0.56) KDM4ETSHRCYP1A2CYP2C9HIF1A
SCHEMBL3271558 0.84 APP (0.53) LMNAKDM4EPOLBTSHRCYP1A2
SCHEMBL28827968 0.83 HPGD (0.62) HTTLMNAKDM4EPOLBHPGD
SCHEMBL2823002 0.83 PPARD (0.52) KDM4EPOLBTSHR
SCHEMBL7015372 0.83 AR (0.44) HTTLMNAPOLBTSHRCYP1A2
SCHEMBL1549647 0.83 VDR (0.46) LMNAKDM4EPOLBTSHRCYP1A2
SCHEMBL3273629 0.83 LMNA (0.64) HTTLMNAKDM4ETSHRHPGD
SCHEMBL3271015 0.83 LMNA (0.47) HTTLMNAKDM4EPOLBCYP1A2
SCHEMBL4183137 0.82 LMNA (0.50) HTTLMNAKDM4EPOLBTSHR
SCHEMBL1245338 0.82 LMNA (0.50) HTTLMNAKDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 US disclosed
EP-1438283-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE NOVO NORDISK A/S (DK) 2004-07-21 EP disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 WO disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed
US-20030109579-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2003-06-12 US disclosed
WO-2003033453-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2003-04-24 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 (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-20030109579-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD HTT 3193/4885LMNA 1974/4885KDM4E 3030/4885
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA HTT 1967/4885LMNA 1497/4885KDM4E 4310/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG HTT 614/4885LMNA 1929/4885KDM4E 2934/4885
US-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA HTT 2981/4885LMNA 1433/4885KDM4E 4475/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA HTT 2775/4885LMNA 1393/4885KDM4E 4443/4885

“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.