SCHEMBL2761968

SCHEMBL2761968

CCCOC(=O)N1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA2 P00918 9/20 0.43
CA1 P00915 8/20 0.43
CA7 P43166 1/20 0.43
LMNA P02545 2/20 0.42
CA9 Q16790 7/20 0.42
MAPT P10636 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CA4 P22748 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
NAMPT P43490 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL2762052 0.94 TSHR (0.53) TSHRNPSR1CA2CA1CA7
SCHEMBL2762709 0.91 NAMPT (0.46) TSHRNPSR1CA2CA1CA7
SCHEMBL2762275 0.88 MEN1 (0.51) TSHRNPSR1CA2CA1CA9
SCHEMBL2762039 0.88 CA2 (0.51) TSHRCA2CA1CA7CA9
SCHEMBL2762662 0.88 SMN1; SMN2 (0.51) TSHRCA2CA1CA7LMNA
SCHEMBL2762034 0.88 CA2 (0.45) TSHRCA2CA1LMNACA9
SCHEMBL2762157 0.88 CA2 (0.54) TSHRCA2CA1CA9MAPT
SCHEMBL2761776 0.88 TP53 (0.47) TSHRCA2CA1LMNACA9
SCHEMBL2762556 0.87 CA1 (0.48) TSHRCA2CA1CA9MAPT
SCHEMBL2762627 0.87 CA1 (0.49) TSHRCA2CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343963-B2 Sulfamoyl-phenyl-ureido compounds and their use as medicament 4SC AG (DE) 2013-01-01 US claimed
US-8343963-B2 Sulfamoyl-phenyl-ureido compounds and their use as medicament 4SC AG (DE) 2013-01-01 US disclosed
US-8343963-B2 Sulfamoyl-phenyl-ureido compounds and their use as medicament 4SC AG (DE) 2013-01-01 US disclosed
US-8343963-B2 Sulfamoyl-phenyl-ureido compounds and their use as medicament 4SC AG (DE) 2013-01-01 US disclosed
EP-2391601-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2011-12-07 EP disclosed
WO-2010086177-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2010-08-05 WO disclosed
US-20100197640-A1 NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT 4SC AG (DE) 2010-08-05 US disclosed
US-20100197640-A1 NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT 4SC AG (DE) 2010-08-05 US disclosed
US-20100197640-A1 NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT 4SC AG (DE) 2010-08-05 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-20100197640-A1 NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT SLC14A1, UTS2R, UROD TSHR 4232/4885NPSR1 766/4885CA2 2340/4885

“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.