SCHEMBL522374

SCHEMBL522374

CS(=O)(=O)c1cccc(B(O)ON)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KIF11 P52732 1/20 0.38
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL6096 0.80 ENPP2 (0.61) ENPP2SMN1; SMN2ALDH1A1GAAHSD17B10
SCHEMBL28090032 0.78 ENPP2 (0.38) ENPP2ALDH1A1HSD17B10LMNACA1
SCHEMBL26345899 0.74 ACHE (0.42) ENPP2ALDH1A1LMNACA2
SCHEMBL4323915 0.72 ALDH1A1 (0.41) SMN1; SMN2KIF11ALDH1A1LMNA
SCHEMBL28676100 0.72 ALDH1A1 (0.40) ENPP2ALDH1A1GAAHSD17B10
SCHEMBL10051059 0.72 CA1 (0.55) ENPP2SMN1; SMN2LOXLOXL2ALDH1A1
Sulfuric Acid SCHEMBL17580243 0.72 TSHR (0.43) ENPP2SMN1; SMN2ALDH1A1GAAHSD17B10
SCHEMBL5665659 0.71 ENPP2 (0.67) ENPP2SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL28799132 0.71 IDO1 (0.41) ENPP2ALDH1A1
SCHEMBL4437860 0.71 CYP3A4 (0.41) ENPP2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ENPP2 399/4885SMN1; SMN2 4722/4885KIF11 2059/4885

“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.