SCHEMBL3782019

SCHEMBL3782019

O=C(Nc1ccc(NC(=O)OCc2ccccc2)c(B(O)O)c1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.53
ENPP2 Q13822 3/20 0.52
ROCK2 O75116 2/20 0.51
PTPN1 P18031 1/20 0.49
MAOB P27338 3/20 0.49
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
RCOR1 Q9UKL0 1/20 0.48

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
SCHEMBL3792767 0.90 MGLL (0.61) MGLLNPC1RAB9ATP53MAPT
SCHEMBL29952776 0.86 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL3785629 0.85 NPC1 (0.68) MGLLNPC1RAB9ATP53MAPT
SCHEMBL29435821 0.83 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL2174663 0.83 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL3789898 0.82 CYP1A2 (0.58) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL11766069 0.81 NPC1 (0.72) MGLLNPC1RAB9ATP53MAPT
SCHEMBL3789239 0.81 MEN1 (0.60) MGLLNPC1RAB9ATP53MAPT
SCHEMBL9523995 0.80 RAB9A (0.58) MGLLNPC1RAB9ATP53MAPT
SCHEMBL2634783 0.79 POLB (0.64) MGLLNPC1RAB9ATP53MAPT

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 MGLL 1314/4885NPC1 724/4885RAB9A 1357/4885

“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.