SCHEMBL3785376

SCHEMBL3785376

COC(=O)Nc1ccc(B(O)O)c(NC(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL3784777 0.86 HPGD (0.51) SMN1; SMN2HPGDALDH1A1MAPK1FAAH
SCHEMBL3784653 0.84 CA12 (0.47) ALDH1A1GAA
SCHEMBL3788248 0.84 CYP1A2 (0.54) SMN1; SMN2HPGDALDH1A1MAPK1CYP3A4
SCHEMBL3788497 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HPGDALDH1A1MAPK1FAAH
SCHEMBL11657782 0.82 HPGD (0.69) SMN1; SMN2HPGDALDH1A1MAPK1FAAH
SCHEMBL3785165 0.79 MEN1 (0.51) SMN1; SMN2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL716888 0.79 ALDH1A1 (0.57) SMN1; SMN2HPGDALDH1A1MAPK1FAAH
SCHEMBL29922263 0.79 ALDH1A1 (0.57) SMN1; SMN2HPGDALDH1A1MAPK1FAAH
SCHEMBL3792767 0.78 MGLL (0.61) SMN1; SMN2ALDH1A1MAPTTSHRPOLB
SCHEMBL11658584 0.77 TUBB4A (0.56) SMN1; SMN2HPGDALDH1A1MAPK1MAPT

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 SMN1; SMN2 4524/4885HPGD 2790/4885ALDH1A1 4339/4885

“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.