SCHEMBL3430632

SCHEMBL3430632

COc1cccc(NC(=O)c2nn(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.56
ELANE P08246 1/20 0.53
IDH1 O75874 1/20 0.51
KCNH2 Q12809 1/20 0.49
MAPT P10636 2/20 0.49
AKR1C3 P42330 2/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR9 Q9NR96 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALPG P10696 1/20 0.48
FLT3 P36888 1/20 0.48
HIF1A Q16665 1/20 0.48
HTT P42858 1/20 0.47
MCL1 Q07820 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
SCHEMBL3428705 0.90 PTGER4 (0.60) PTGER4ELANEIDH1MAPTAKR1C3
SCHEMBL3428395 0.88 PTGER4 (0.54) PTGER4ELANEIDH1MEN1KMT2A
SCHEMBL3427368 0.87 PTGER4 (0.49) PTGER4IDH1MAPTMEN1NPC1
SCHEMBL3755332 0.86 KDM4E (0.54) PTGER4ELANEIDH1MEN1KMT2A
SCHEMBL3431404 0.86 IDH1 (0.49) PTGER4IDH1MAPTMEN1NPC1
SCHEMBL3429839 0.85 IDH1 (0.51) PTGER4ELANEIDH1MAPTMEN1
SCHEMBL3427738 0.84 MCL1 (0.59) PTGER4IDH1MEN1NPC1RAB9A
SCHEMBL3430801 0.84 MAPT (0.54) PTGER4IDH1MAPTMEN1NPC1
SCHEMBL3428417 0.84 PTGER4 (0.57) PTGER4ELANEIDH1MAPTMEN1
SCHEMBL3428570 0.83 KDM4E (0.51) PTGER4ELANEIDH1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 PTGER4 3500/4885ELANE 1217/4885IDH1 1584/4885

“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.