SCHEMBL2589648

SCHEMBL2589648

O=S1(=O)CC(O)c2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 7/20 0.39
CA2 P00918 3/20 0.38
CA5A P35218 1/20 0.38
CA1 P00915 2/20 0.37
EPAS1 Q99814 1/20 0.35
SLC10A2 Q12908 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
PTPN1 P18031 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL14808551 0.86 CA2 (0.44) VEGFACA2CA5ACA1EPAS1
SCHEMBL31396119 0.83 CA2 (0.40) VEGFACA2CA1EPAS1SLC10A2
SCHEMBL12179248 0.79 CA2 (0.38) VEGFACA2CA5ACA1SLC10A2
SCHEMBL22438912 0.79 KDM1A (0.39) CA2CA1CA12CA4CA7
SCHEMBL31396203 0.76 CA2 (0.39) VEGFACA2CA5ACA1CA12
SCHEMBL7431183 0.74 FFAR1 (0.39) CA2CA1EDNRBEDNRA
SCHEMBL10858571 0.73 SLC6A2 (0.38) VEGFACA2CA5ASLC10A2
SCHEMBL22439483 0.70 TGM2 (0.40)
SCHEMBL7124229 0.70 DDB1 (0.37) VEGFACA2CA1SLC10A2CA12
SCHEMBL29134300 0.70 CA1 (0.35) CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 VEGFA 824/4885CA2 4120/4885CA5A 794/4885

“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.