SCHEMBL3783533

SCHEMBL3783533

CCOC(=O)c1ccc(B(O)ON)cc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 5/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL3787933 0.83 KDM4E (0.44) TSHRCA12CA1CA2CA7
SCHEMBL3790246 0.80 ALDH1A1 (0.54) TSHRCA12CA1CA2CA9
SCHEMBL3784943 0.79 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL301748 0.77 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL3789908 0.77 CA12 (0.49) TSHRCA12CA1CA2CA7
SCHEMBL3784768 0.76 CA12 (0.51) TSHRCA12CA1CA2CA7
SCHEMBL12502274 0.75 TSHR (0.49) TSHRALDH1A1HSD17B10MAPK1LMNA
SCHEMBL3781112 0.75 TSHR (0.58) TSHRCA12CA1CA2CA7
SCHEMBL4975437 0.74 ALDH1A1 (0.57) TSHRCA12CA1CA2CA7
SCHEMBL2888716 0.74 TSHR (0.60) TSHRCA12CA1CA2CA7

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 TSHR 1688/4885CA12 1438/4885CA1 3273/4885

“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.