SCHEMBL3048237

SCHEMBL3048237

COC(=O)C(S)C(=S)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GAA P10253 1/20 0.42
SRC P12931 1/20 0.40
ESRRB O95718 1/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
PLA2G1B P04054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4231267 0.83 NPC1 (0.53) KMT2ATSHRALDH1A1LMNAGAA
SCHEMBL20133901 0.81 KMT2A (0.51) KMT2ATSHRALDH1A1LMNAPTGS1
SCHEMBL3948673 0.79 CA12 (0.44) KMT2ATSHRALDH1A1LMNASRC
SCHEMBL10530602 0.79 CA12 (0.44) KMT2ATSHRALDH1A1LMNASRC
SCHEMBL28304280 0.70 KMT2A (0.47) KMT2ATSHRALDH1A1LMNAGLA
SCHEMBL11220212 0.70 KMT2A (0.70) KMT2ATSHRALDH1A1LMNAESRRB
SCHEMBL16093971 0.70 KMT2A (0.47) KMT2ATSHRALDH1A1LMNAGLA
SCHEMBL11097672 0.70 KMT2A (0.44) KMT2ATSHRALDH1A1LMNAGLA
SCHEMBL8845741 0.69 KMT2A (0.55) KMT2ATSHRALDH1A1LMNAPTGS1
SCHEMBL2097359 0.69 KMT2A (0.55) KMT2ATSHRALDH1A1LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-7662771-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2010-02-16 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
EP-1658273-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 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 (3 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-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R KMT2A 3102/4885TSHR 87/4885ALDH1A1 4814/4885
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R KMT2A 2947/4885TSHR 89/4885ALDH1A1 4799/4885
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R KMT2A 3613/4885TSHR 146/4885ALDH1A1 4836/4885

“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.