SCHEMBL1945593

SCHEMBL1945593

NS(=O)(=O)c1ccc(CCNc2nn3c(-c4ccc(F)c(Cl)c4)cnc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.69
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43

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
SCHEMBL12566340 0.89 FYN (0.72) FYNCA1CA2CA12CA9
SCHEMBL1943787 0.89 FYN (0.74) FYNCA1CA2CA12CA9
SCHEMBL14747569 0.88 FYN (0.68) FYNCA1CA2CA12CA9
SCHEMBL1946950 0.88 FYN (0.74) FYNCA1CA2CA12CA9
SCHEMBL1943667 0.85 FYN (0.72) FYN
SCHEMBL1943364 0.84 FYN (0.72) FYNCA1CA2CA12CA9
SCHEMBL1946903 0.83 FYN (0.72) FYNCA1CA2CA12CA9
SCHEMBL1944262 0.83 FYN (0.74) FYNCA1CA2CA12CA9
SCHEMBL12566647 0.83 FYN (0.75) FYN
SCHEMBL1948008 0.82 FYN (0.70) FYNCA1CA2CA12CA9

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 6 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-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
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 FYN 1977/4885CA1 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.