SCHEMBL434346

SCHEMBL434346

CCCCOC(=O)CCSc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GRM2 Q14416 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL431034 0.96 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL433166 0.86 LMNA (0.74) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15927544 0.84 LMNA (0.46) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL31497703 0.83 LMNA (0.45) ALDH1A1LMNATP53KDM4ETSHR
SCHEMBL432645 0.81 LMNA (0.70) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15943384 0.81 LMNA (0.46) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7864966 0.79 LMNA (0.67) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL431027 0.79 LMNA (0.67) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3441413 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL14964422 0.77 PPARG (0.42) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003242-B Pyridin-2-ylsulfanyl esters and methods of making the same COUNCIL SCIENT IND RES 2015-04-22 CN claimed
EP-2595957-B1 PYRIDIN-2-YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-08-13 EP claimed
US-8680288-B2 Pyridin-2yl sulfanyl acid esters and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-25 US claimed
EP-2595957-A1 PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-05-29 EP claimed
US-20130131350-A1 PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 US claimed
CN-103003242-A Pyridin-2-ylsulfanyl esters and methods of making the same COUNCIL SCIENT IND RES 2013-03-27 CN claimed
WO-2012011123-A1 PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 WO claimed
CN-103003242-B Pyridin-2-ylsulfanyl esters and methods of making the same COUNCIL SCIENT IND RES 2015-04-22 CN disclosed
EP-2595957-B1 PYRIDIN-2-YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-08-13 EP disclosed
EP-2595957-B1 PYRIDIN-2-YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-08-13 EP disclosed
US-8680288-B2 Pyridin-2yl sulfanyl acid esters and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-25 US disclosed
US-8680288-B2 Pyridin-2yl sulfanyl acid esters and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-25 US disclosed
US-8680288-B2 Pyridin-2yl sulfanyl acid esters and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-25 US disclosed
EP-2595957-A1 PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-05-29 EP disclosed
US-20130131350-A1 PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 US disclosed
US-20130131350-A1 PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 US disclosed
US-20130131350-A1 PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 US disclosed
CN-103003242-A Pyridin-2-ylsulfanyl esters and methods of making the same COUNCIL SCIENT IND RES 2013-03-27 CN disclosed
WO-2012011123-A1 PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 WO disclosed
WO-2012011123-A1 PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 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 (1 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-20130131350-A1 PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF VCAM1, ICAM1, CCL5 ALDH1A1 634/4885LMNA 1729/4885MAPT 4815/4885

“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.