SCHEMBL3901987

SCHEMBL3901987

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.38
EPHX2 P34913 3/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
NLRP1 Q9C000 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KCNA5 P22460 1/20 0.35
IDH1 O75874 1/20 0.35
CCKAR P32238 5/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3903734 0.94 EPHX2 (0.37) CCKBREPHX2LMNAMAPK1NLRP1
SCHEMBL3897964 0.94 CCKBR (0.41) CCKBREPHX2LMNAMAPK1NLRP1
SCHEMBL3896972 0.94 AKR1B1 (0.38) CCKBREPHX2LMNAMAPK1NLRP1
SCHEMBL3902461 0.94 EPHX2 (0.39) CCKBREPHX2LMNA
SCHEMBL3903066 0.94 KCNA5 (0.42) EPHX2LMNAMAPK1NLRP1TSHR
SCHEMBL3900199 0.93 ALDH1A1 (0.44) CCKBREPHX2LMNAMAPK1NLRP1
SCHEMBL3899498 0.93 ALDH1A1 (0.44) CCKBRLMNAKDM4EALDH1A1RCE1
SCHEMBL3900371 0.92 CCKBR (0.40) CCKBRKCNA5CCKAR
SCHEMBL3910046 0.92 CCKBR (0.39) CCKBRKCNA5CCKARHPGD
SCHEMBL3746803 0.92 CCKAR (0.40) CCKBRKDM4EALDH1A1CCKARHPGD

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 1/4885EPHX2 2669/4885LMNA 4502/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885EPHX2 2457/4885LMNA 4407/4885

“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.