SCHEMBL520832

SCHEMBL520832

CC(C)S(=O)(=O)c1ccccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
MMP16 P51512 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32

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
SCHEMBL48859 0.77 ENPP2 (0.43) ENPP2TSHRSMN1; SMN2
SCHEMBL8377616 0.77 TSHR (0.46) ENPP2POLBTSHRSMN1; SMN2LIPG
SCHEMBL12199590 0.76 ENPP2 (0.37) ENPP2MMP2MMP9MMP8MMP12
SCHEMBL13588847 0.75 GABRA1 (0.41) ADRA2AADRA1DADRA1AADRA1BMMP1
SCHEMBL29469201 0.75 CA2 (0.50)
SCHEMBL1490894 0.75 CA2 (0.50)
Hydrochloric Acid SCHEMBL28825246 0.73 MYC (0.43) ADRA2AADRA1DADRA1AADRA1BMMP1
SCHEMBL289765 0.73 PSIP1 (0.45) ENPP2ADRA2AADRA1DADRA1AADRA1B
SCHEMBL29670227 0.73 PSIP1 (0.45) ENPP2ADRA2AADRA1DADRA1AADRA1B
SCHEMBL6097627 0.72 LMNA (0.42) ADRA2AADRA1DADRA1AADRA1BPOLB

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 399/4885ADRA2A 3854/4885ADRA1D 4072/4885

“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.