SCHEMBL3900162

SCHEMBL3900162

C[C@H](c1ccccc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.35
USP8 P40818 8/20 0.35
ACLY P53396 3/20 0.35
LIMK2 P53671 2/20 0.35
KCNA5 P22460 1/20 0.34
USP36 Q9P275 1/20 0.34
KDM1A O60341 1/20 0.33
MCL1 Q07820 3/20 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
SCHEMBL3902422 0.93 ACLY (0.33) USP2USP8ACLYKDM1AMCL1
SCHEMBL5728424 0.89 LIMK2 (0.36) ACLYLIMK2KCNA5MCL1
SCHEMBL3902484 0.88 CCKBR (0.36) ACLYLIMK2
SCHEMBL5443012 0.88 CCKBR (0.36) ACLYLIMK2
SCHEMBL3900502 0.88 CCKBR (0.36) ACLYLIMK2
SCHEMBL3902462 0.88 LIMK2 (0.38) LIMK2KCNA5
SCHEMBL3899517 0.88 CCKBR (0.38) ACLYLIMK2
SCHEMBL3901386 0.85 CCKBR (0.40) USP2USP8ACLYLIMK2MCL1
SCHEMBL3896960 0.85
SCHEMBL3901475 0.84 LIMK2 (0.36) ACLYLIMK2KCNA5

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 USP2 1084/4885USP8 3091/4885ACLY 4493/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 USP2 765/4885USP8 3443/4885ACLY 4421/4885

“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.