SCHEMBL434812

SCHEMBL434812

CCCOC(=O)CCCC(Sc1ccccn1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TOP2A P11388 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 5/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 7/20 0.38
PPARA Q07869 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 3/20 0.36
PSEN1 P49768 1/20 0.36
ABL1 P00519 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL14964422 0.94 PPARG (0.42) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL433061 0.94 PPARG (0.42) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14962075 0.88 LMNA (0.52) LMNATOP2ASMN1; SMN2KDM4EMEN1
SCHEMBL433489 0.87 LMNA (0.51) LMNATOP2ASMN1; SMN2KDM4EMEN1
SCHEMBL431303 0.80 NAAA (0.39) LMNASMN1; SMN2KDM4EKMT2AHPGD
SCHEMBL15943384 0.78 LMNA (0.46) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11822590 0.73 TDP1 (0.48) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11880693 0.71 TDP1 (0.44) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7393115 0.71 MMP9 (0.51) SMN1; SMN2KDM4EMEN1KMT2AALOX5
SCHEMBL434346 0.70 ALDH1A1 (0.57) LMNASMN1; SMN2KDM4EKMT2AHPGD

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 LMNA 1729/4885TOP2A 3775/4885SMN1; SMN2 2409/4885

“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.