SCHEMBL3780741

SCHEMBL3780741

CC(C)(C)OC(=O)Nc1cccc(B(O)O)c1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
ATR Q13535 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
LCK P06239 3/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL1008543 0.86 LMNA (0.47) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL29525132 0.86 LMNA (0.47) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL21439216 0.85 RXFP1 (0.43) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL3790971 0.84 HPGD (0.43) LMNAPOLBMEN1KMT2A
SCHEMBL1006953 0.84 NLRP3 (0.43) RXFP1LMNAPOLBATRLCK
SCHEMBL29956316 0.84 NLRP3 (0.43) RXFP1LMNAPOLBATRLCK
SCHEMBL12116536 0.84 RXFP1 (0.43) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL29953991 0.84 RXFP1 (0.43) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL29781362 0.84 RXFP1 (0.45) RXFP1LMNAPOLBMETAP1BRD9
SCHEMBL3790507 0.83 RXFP1 (0.46) RXFP1LMNAPOLBMETAP1BRD9

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 RXFP1 4257/4885LMNA 3250/4885POLB 2303/4885

“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.