SCHEMBL431303

SCHEMBL431303

COC(=O)C(CCCC(=O)OC1CCCCC1)Sc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL434812 0.80 LMNA (0.43) ALDH1A1KMT2AKDM4ELMNAHPGD
SCHEMBL14964422 0.79 PPARG (0.42) ALDH1A1KMT2AKDM4ELMNAHPGD
SCHEMBL14962075 0.79 LMNA (0.52) ALDH1A1KMT2AGAAHDAC1KDM4E
SCHEMBL433061 0.78 PPARG (0.42) KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL433489 0.78 LMNA (0.51) ALDH1A1KMT2AGAAHDAC1KDM4E
SCHEMBL432813 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ACYP19A1KDM4ELMNA
SCHEMBL29120323 0.71 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10576900 0.66 CYP19A1 (0.58) ALDH1A1KMT2ACYP19A1KDM4ELMNA
SCHEMBL10573036 0.66 CYP19A1 (0.58) ALDH1A1KMT2ACYP19A1KDM4ELMNA
SCHEMBL10572702 0.66 CYP19A1 (0.58) ALDH1A1KMT2ACYP19A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 NAAA 3491/4885ALDH1A1 634/4885KMT2A 4549/4885

“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.