SCHEMBL3899517

SCHEMBL3899517

C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.38
CCKAR P32238 6/20 0.38
LIMK2 P53671 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GHSR Q92847 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL5728245 1.00 CCKBR (0.38) CCKBRCCKARLIMK2L3MBTL1GAA
SCHEMBL3902088 0.92 CCKBR (0.33) CCKBRCCKAR
SCHEMBL5728424 0.91 LIMK2 (0.36) LIMK2EGLN1GHSRACLY
SCHEMBL3900580 0.91 LIMK2 (0.36) LIMK2EGLN1GHSRACLY
SCHEMBL3902462 0.91 LIMK2 (0.38) LIMK2EGLN1GHSR
SCHEMBL5443012 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3900502 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3902484 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3900162 0.88 USP2 (0.35) LIMK2ACLY
SCHEMBL3904144 0.86 L3MBTL1 (0.47) CCKBRCCKARL3MBTL1

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR CCKBR 1/4885CCKAR 2/4885LIMK2 1140/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885CCKAR 2/4885LIMK2 921/4885

“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.