SCHEMBL3787657

SCHEMBL3787657

Nc1c(CO)cccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ENPP2 Q13822 3/20 0.35
CHRNE Q04844 1/20 0.35
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LIPE Q05469 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL3793136 0.83 GABRA1 (0.46) LIPGENPP2KDM4EALDH1A1GABRA1
SCHEMBL3790530 0.80 LIPG (0.50) LIPGGABRA1GABRB2
SCHEMBL15390567 0.79 APOBEC3G (0.44) PDCD1CD274CHRNEAPOBEC3GKDM4E
SCHEMBL29377890 0.78 LIPG (0.55) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL8530 0.78 LIPG (0.55) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL3786328 0.77 LIPG (0.61) LIPG
SCHEMBL5840438 0.77 PDCD1 (0.52) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL3783913 0.77 LIPG (0.41) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL29955362 0.77 LIPG (0.41) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL22717297 0.76 ENPP2 (0.44) LIPGPDCD1CD274ENPP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 LIPG 3010/4885PDCD1 465/4885CD274 1253/4885

“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.