SCHEMBL5157744

SCHEMBL5157744

COc1ccc(Br)cc1-c1ccccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL14015084 0.81 ENPP2 (0.69) ENPP2TSHRORAI1ORAI2ORAI3
SCHEMBL14125145 0.80 GAA (0.56) NPC1TSHRRAB9AHTTMGAM
SCHEMBL23142587 0.80 PTPRC (0.44) ENPP2TSHRPOLBMAPK1ALDH1A1
SCHEMBL1235272 0.77 ENPP2 (0.52) ENPP2TSHRHTTORAI1ORAI2
SCHEMBL6267736 0.77 NPC1 (0.48) NPC1TSHRRAB9AHTTMGAM
SCHEMBL5155559 0.77 NPC1 (0.48) NPC1TSHRRAB9AHTTMGAM
SCHEMBL20321771 0.74 NPC1 (0.54) NPC1TSHRRAB9AHTTMGAM
SCHEMBL5157748 0.74 NPC1 (0.46) NPC1TSHRRAB9AHTTMGAM
SCHEMBL5827764 0.74 NPC1 (0.63) NPC1TSHRRAB9AHTTMGAM
SCHEMBL4908473 0.73 ENPP2 (0.52) ENPP2HTTORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 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-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor PTGER1, PTGER2, PTGDR ENPP2 94/4885NPC1 810/4885TSHR 362/4885

“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.