SCHEMBL6284953

SCHEMBL6284953

COC(=N)c1cccc(NC(=O)Nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
CA2 P00918 13/20 0.58
CA1 P00915 10/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
CA12 O43570 2/20 0.51

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
SCHEMBL6280187 0.89 TP53 (0.62) TP53TSHRCA2CA1CA9
SCHEMBL6282613 0.87 MEN1 (0.52) TP53TSHRCA2CA1CA9
SCHEMBL7530760 0.84 CA2 (0.55) TP53TSHRCA2CA1CA9
SCHEMBL6280127 0.80 CA2 (0.60) TP53TSHRCA2CA1CA9
SCHEMBL6276930 0.76 CA2 (0.53) TP53TSHRCA2CA1CA9
SCHEMBL2762398 0.76 CA2 (0.47) TP53TSHRCA2CA1CA9
SCHEMBL2761936 0.75 CA2 (0.51) TP53TSHRCA2CA1CA9
SCHEMBL13785031 0.74 NPC1 (0.74) TP53TSHRCA2CA1CA9
SCHEMBL13379248 0.74 CA2 (0.85) CA2CA1CA9CA7MEN1
SCHEMBL5677882 0.73 CA2 (0.88) CA2CA1CA9CA7MEN1

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-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 US disclosed
EP-1395548-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2004-03-10 EP disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 US disclosed
US-20020165236-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2002-11-07 US disclosed
WO-2002070467-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2002-09-12 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 (2 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-20020165236-A1 Compounds for the treatment of protozoal diseases PKD2, PPOX, PKD1 TP53 3644/4885TSHR 2341/4885CA2 2245/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 TP53 3405/4885TSHR 3529/4885CA2 12/4885

“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.