SCHEMBL432645

SCHEMBL432645

CCOC(=O)CCCSc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.49
POLB P06746 1/20 0.49
GRM2 Q14416 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7864966 0.95 LMNA (0.67) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL431027 0.95 LMNA (0.67) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL433166 0.92 LMNA (0.74) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14385817 0.82 LMNA (1.00) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL432515 0.82 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29120323 0.81 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL434346 0.81 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18805587 0.81 LMNA (0.62) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20545187 0.81 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL431034 0.80 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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 13 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 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 1729/4885ALDH1A1 634/4885SMN1; 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.