SCHEMBL3902399

SCHEMBL3902399

COC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccc2nsnc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 5/20 0.68
▸ POLB P06746 3/20 0.65
▸ CTDSP1 Q9GZU7 3/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ ATM Q13315 1/20 0.61
▸ CXCR2 P25025 1/20 0.60
▸ CXCR4 P61073 1/20 0.60
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ METAP2 P50579 1/20 0.56
▸ CASP6 P55212 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ PTPN5 P54829 1/20 0.54
▸ PTPN11 Q06124 1/20 0.54

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
SCHEMBL3900101 0.88 L3MBTL1 (0.75) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL3746132 0.87 CCKBR (0.68) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL3900557 0.87 POLB (0.79) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL3746618 0.85 POLB (0.65) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL1888301 0.84 CCKBR (0.68) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL1891229 0.84 CCKBR (0.68) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL3744910 0.84 CCKBR (0.70) CCKBRPOLB
SCHEMBL3751288 0.84 CCKBR (0.68) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL3745619 0.84 MEN1 (0.69) CCKBRPOLBCTDSP1L3MBTL1ATM
SCHEMBL1891322 0.82 CCKBR (0.70) CCKBRPOLBCTDSP1L3MBTL1ATM

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
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
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 — — EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 — — WO 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 1/4885POLB 4576/4885CTDSP1 2665/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885POLB 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.

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