SCHEMBL2117807

SCHEMBL2117807

O=C(O)CCSc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.52
RXFP1 Q9HBX9 4/20 0.50
PRNP P04156 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPK10 P53779 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
FGB P02675 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 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
SCHEMBL27786623 0.84 HDAC3 (0.42) MCL1RXFP1PRNPNPSR1MAPK10
SCHEMBL3077714 0.82 MEN1 (0.61) RXFP1PRNPTSHRTDP1HPGD
SCHEMBL16893899 0.82 HDAC3 (0.43) MCL1RXFP1PRNPNPSR1MAPK10
SCHEMBL2116085 0.81 CYP1A2 (0.54) RXFP1NPSR1MAPK1HPGDMEN1
SCHEMBL11495454 0.80 CYP1A2 (0.42) MCL1RXFP1PRNPNPSR1MAPK10
SCHEMBL2607764 0.78 ALDH1A1 (0.44) NPSR1TSHRMAPK1TDP1HPGD
SCHEMBL6293960 0.77 IFNAR1 (0.43) NPSR1TSHRMAPK1TDP1HPGD
SCHEMBL9701297 0.77 MEN1 (0.54) RXFP1PRNPNPSR1MAPK10TSHR
SCHEMBL1514456 0.76 HSD17B10 (0.50) MCL1RXFP1PRNPNPSR1MAPK10
SCHEMBL11603953 0.75 HTR7 (0.51) RXFP1PRNPNPSR1MAPK10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200041437-A1 BIOSENSORS WITH pH-INDEPENDENT REDOX MOIETIES ECCRINE SYSTEMS, INC. (US) 2020-02-06 US claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-20200041437-A1 BIOSENSORS WITH pH-INDEPENDENT REDOX MOIETIES ECCRINE SYSTEMS, INC. (US) 2020-02-06 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
EP-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B MCL1 2860/4885RXFP1 725/4885PRNP 1739/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B MCL1 2860/4885RXFP1 725/4885PRNP 1739/4885

“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.