SCHEMBL1945596

SCHEMBL1945596

NS(=O)(=O)c1ccc(CCNc2nn3cc(-c4ccc(F)c(Cl)c4)nc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.54
CA1 P00915 13/20 0.54
CA2 P00918 13/20 0.54
CA9 Q16790 13/20 0.54
FYN P06241 5/20 0.47
CA14 Q9ULX7 3/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA5A P35218 1/20 0.42
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
SCHEMBL1943789 0.89 CA2 (0.69) CA12CA1CA2CA9FYN
SCHEMBL1946953 0.88 CA1 (0.55) CA12CA1CA2CA9FYN
SCHEMBL1943668 0.85 FYN (0.46) CA12CA1CA2CA9FYN
SCHEMBL1946905 0.84 CA1 (0.55) CA12CA1CA2CA9FYN
SCHEMBL15603268 0.84 CA1 (0.54) CA12CA1CA2CA9FYN
SCHEMBL1944265 0.83 CA1 (0.55) CA12CA1CA2CA9FYN
SCHEMBL1948011 0.82 CA12 (0.53) CA12CA1CA2CA9FYN
SCHEMBL1946803 0.82 FYN (0.68) CA12CA1CA2CA9FYN
SCHEMBL1652931 0.81 FYN (0.58) CA12CA1CA2CA9FYN
SCHEMBL1945593 0.81 FYN (0.69) CA12CA1CA2CA9FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R CA12 4385/4885CA1 4158/4885CA2 2566/4885

“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.