SCHEMBL1150847

SCHEMBL1150847

COc1ccc(F)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.75
KDM4E B2RXH2 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
BRD4 O60885 1/20 0.58
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58

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
SCHEMBL15120570 0.84 KMT2A (0.81) TSHRALDH1A1NPSR1KMT2ANPC1
SCHEMBL30511773 0.83 ALDH1A1 (0.63) TSHRKDM4EALDH1A1NPSR1KMT2A
SCHEMBL30511774 0.83 ALDH1A1 (0.63) TSHRKDM4EALDH1A1NPSR1KMT2A
SCHEMBL23847020 0.83 ALDH1A1 (0.63) TSHRKDM4EALDH1A1NPSR1KMT2A
SCHEMBL15052436 0.83 GAA (0.77) TSHRKDM4ESMN1; SMN2ALDH1A1NPSR1
SCHEMBL29483582 0.82 NPC1 (0.70) TSHRKDM4EALDH1A1NPSR1KMT2A
SCHEMBL20387483 0.82 NPC1 (0.70) TSHRKDM4EALDH1A1NPSR1KMT2A
SCHEMBL11916138 0.82 ALDH1A1 (0.75) TSHRKDM4ESMN1; SMN2ALDH1A1NPSR1
SCHEMBL1149672 0.82 KDM4E (0.51) TSHRKDM4ESMN1; SMN2ALDH1A1NPSR1
SCHEMBL2080681 0.81 TP53 (0.65) TSHRSMN1; SMN2ALDH1A1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 EP disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
EP-2291377-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2011-03-09 EP disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 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-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF TPMT, DPYD, IMPDH1 TSHR 4240/4885KDM4E 1918/4885SMN1; SMN2 958/4885

“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.