SCHEMBL4801050

SCHEMBL4801050

Cc1ccc(S(=O)(=O)C(NC=O)c2ccc(I)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.40
TLR9 Q9NR96 1/20 0.36
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
RAB9A P51151 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
SCHEMBL21797170 0.92 TLR9 (0.41) RAPGEF4TLR9CA1CA2CA12
SCHEMBL6423000 0.85 TP53 (0.43) GAAALDH1A1BCHEACHE
SCHEMBL4798346 0.85 KMT2A (0.41) TLR9CA1CA2CA12CA9
SCHEMBL16055972 0.85 UTS2R (0.43) CA1CA2CA12CA9GAA
SCHEMBL989351 0.85 NPY2R (0.44) TLR9CA1CA2CA12CA9
SCHEMBL4464947 0.83 CYP19A1 (0.34) RAPGEF4TLR9CA1CA2CA12
SCHEMBL22730498 0.82 ALDH1A1 (0.43) CA1CA2CA12CA9NPSR1
SCHEMBL16093818 0.82 KMT2A (0.46) CA1CA2CA12CA9RAB9A
SCHEMBL5741463 0.79 KMT2A (0.40) RAPGEF4TLR9CA1CA2CA12
SCHEMBL13073968 0.78 CA12 (0.46) CA1CA2CA12CA9SMN1; SMN2

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR RAPGEF4 4715/4885TLR9 1565/4885CA1 3435/4885

“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.