SCHEMBL3909971

SCHEMBL3909971

O=C(NCc1c(F)cccc1F)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.41
CCKAR P32238 9/20 0.37
PRSS12 P56730 1/20 0.36
KCNA5 P22460 1/20 0.36
INPPL1 O15357 1/20 0.36
MAPK8 P45983 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
MAPK14 Q16539 1/20 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
SCHEMBL3900105 0.93 CCKBR (0.37) CCKBRCCKARKCNA5
SCHEMBL3901212 0.93 CCKBR (0.42) CCKBRCCKARKCNA5
SCHEMBL3900875 0.91 CCKBR (0.40) CCKBRCCKARKCNA5
SCHEMBL3910046 0.91 CCKBR (0.39) CCKBRCCKARKCNA5
SCHEMBL3911978 0.90 CCKBR (0.40) CCKBRCCKARROCK2ROCK1MAPK14
SCHEMBL3900371 0.89 CCKBR (0.40) CCKBRCCKARKCNA5ROCK2ROCK1
SCHEMBL3912166 0.88 CCKBR (0.42) CCKBRCCKARKCNA5
SCHEMBL3900373 0.88 CCKBR (0.45) CCKBRCCKARKCNA5
SCHEMBL3913111 0.87 CCKBR (0.36) CCKBRCCKARKCNA5MAPK8
SCHEMBL3899498 0.87 ALDH1A1 (0.44) CCKBRCCKARKCNA5

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 2/4885PRSS12 833/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885CCKAR 2/4885PRSS12 1119/4885

“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.