Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901296

SCHEMBL3901296

SCHEMBL3901296

C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 8/20 0.39
▸ CCKAR P32238 8/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CCR2 P41597 2/20 0.35
▸ KCNA5 P22460 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL3909064 0.93 KCNA5 (0.42) CCKBRCCKARKCNA5POLBFLT1
SCHEMBL5442656 0.93 KCNA5 (0.42) CCKBRCCKARKCNA5POLBFLT1
SCHEMBL3897005 0.92 PTGER4 (0.39) CCKBRCCKARCCR2KCNA5SMN1; SMN2
SCHEMBL3909965 0.92 KCNA5 (0.42) CCKBRCCKARL3MBTL1KCNA5POLB
SCHEMBL5641569 0.92 KCNA5 (0.42) CCKBRCCKARL3MBTL1KCNA5POLB
SCHEMBL3909994 0.90 CCKBR (0.44) CCKBRCCKARCCR2KCNA5SMN1; SMN2
SCHEMBL3906706 0.89 L3MBTL1 (0.37) CCKBRCCKARL3MBTL1KCNA5POLB
SCHEMBL3895732 0.89 KCNA5 (0.35) CCKBRCCKARKCNA5POLBKDM4E
SCHEMBL3904144 0.89 L3MBTL1 (0.47) CCKBRCCKARL3MBTL1KCNA5SMN1; SMN2
SCHEMBL3909962 0.88 L3MBTL1 (0.38) CCKBRCCKARL3MBTL1POLBFLT1

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 7 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
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 1/4885CCKAR 2/4885L3MBTL1 1202/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885CCKAR 2/4885L3MBTL1 1113/4885

“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.