SCHEMBL3902500

SCHEMBL3902500

C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
ATM Q13315 1/20 0.58
CCKBR P32239 13/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
CCKAR P32238 11/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACLY P53396 1/20 0.49
METAP2 P50579 1/20 0.49

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
SCHEMBL3907631 0.94 CCKBR (0.59) CCKBRCCKAR
SCHEMBL3899492 0.91 CCKBR (0.54) CCKBRCCKAR
SCHEMBL3903828 0.90 CCKBR (0.60) CCKBRCCKAR
SCHEMBL13792674 0.90 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3901591 0.90 CCKBR (0.55) CCKBRCCKAR
SCHEMBL13792875 0.90 CCKBR (0.62) CCKBRCCKARMEN1KMT2AMETAP2
SCHEMBL1890462 0.90 CCKBR (0.62) CCKBRCCKARMEN1KMT2AMETAP2
SCHEMBL13792713 0.90 CCKBR (0.55) CCKBRCCKAR
SCHEMBL3900180 0.90 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3899493 0.89 CCKBR (0.58) CCKBRCCKAR

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 10 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-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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-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 L3MBTL1 1202/4885POLB 4576/4885CTDSP1 2665/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 L3MBTL1 1113/4885POLB 4671/4885CTDSP1 2592/4885

“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.