SCHEMBL520997

SCHEMBL520997

Cc1ccc(S(N)(=O)=O)cc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
CA1 P00915 9/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 7/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA3 P07451 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 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
SCHEMBL15751431 0.85 CA2 (0.47) CA2CA1CA9CA12CA6
SCHEMBL30633354 0.85 CA2 (0.47) CA2CA1CA9CA12CA6
SCHEMBL12537974 0.78 ALDH1A1 (0.47) HTTMAPTPKMGAARAB9A
SCHEMBL6669968 0.78 CA2 (0.55) CA2CA1CA9CA12CA6
SCHEMBL233320 0.77 LMNA (0.61) CA2CA1CA9CA12CA6
SCHEMBL29365636 0.77 LMNA (0.61) CA2CA1CA9CA12CA6
SCHEMBL29957896 0.77 POLB (0.48) POLBHTTMAPTMEN1KMT2A
SCHEMBL12537977 0.77 POLB (0.48) POLBHTTMAPTMEN1KMT2A
SCHEMBL1755266 0.76 CA2 (0.62) CA2CA1CA9CA12CA6
SCHEMBL6063752 0.76 CA2 (0.62) CA2CA1CA9CA12CA6

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 7 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
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US 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 (2 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-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 CA2 4565/4885CA1 4708/4885CA9 4769/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CA2 1560/4885CA1 4430/4885CA9 4168/4885

“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.