SCHEMBL3790237

SCHEMBL3790237

O=C(Nc1ccc(B(O)O)cc1NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MGLL Q99685 2/20 0.50
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.49
PLAU P00749 1/20 0.46
CASP3 P42574 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ENPP2 Q13822 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL2635337 0.88 RAB9A (0.52) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL29473195 0.87 NPC1 (0.51) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL2634783 0.81 POLB (0.64) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL3780832 0.81 MGLL (0.68) NPC1RAB9AMGLLPOLBSMN1; SMN2
SCHEMBL3790803 0.80 MGLL (0.59) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL3786368 0.80 MEN1 (0.59) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL12772987 0.80 NPC1 (0.58) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL3783526 0.80 CYP1A2 (0.69) MAOBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3782019 0.78 MGLL (0.58) NPC1RAB9AMGLLMAOBPOLB
SCHEMBL3785629 0.78 NPC1 (0.68) NPC1RAB9AMGLLMAOBPOLB

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

“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.