SCHEMBL4801052

SCHEMBL4801052

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.41
F2 P00734 6/20 0.40
PRSS1 P07477 6/20 0.40
PRSS2 P07478 6/20 0.40
PRSS3 P35030 6/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
ALOX5 P09917 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL20550796 0.84 ALDH1A1 (0.47) ALDH1A1GAAMAPTLMNANPC1
SCHEMBL4798350 0.84 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL7096179 0.84 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL4983476 0.84 CYP2D6 (0.51) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL4464950 0.82 CYP2D6 (0.39) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL11218064 0.76 SRC (0.47) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL30716686 0.75 MEN1 (0.44) ALDH1A1CA2MAPTLMNANPC1
SCHEMBL4796158 0.74 EGFR (0.45) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL12755316 0.73 GAA (0.76) ALDH1A1GAACA12CA1CA2
SCHEMBL4802706 0.73 RAPGEF4 (0.39) ALDH1A1GAACA12CA1CA2

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 ALDH1A1 2177/4885GAA 4572/4885F2 130/4885

“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.