SCHEMBL3899485

SCHEMBL3899485

C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.40
MCL1 Q07820 4/20 0.34
USP2 O75604 5/20 0.33
USP8 P40818 5/20 0.33
ACLY P53396 1/20 0.33
GPR139 Q6DWJ6 2/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL3907629 0.93 NR1I2 (0.33) PDE2AGPR139
SCHEMBL3899480 0.90 GPR139 (0.34) PDE2AACLYGPR139
SCHEMBL3900169 0.89 CCR2 (0.37)
SCHEMBL5728253 0.89 NR1I2 (0.33) GPR139
SCHEMBL1890458 0.89 CCKBR (0.33) GPR139
SCHEMBL3903821 0.89 NR1I2 (0.33) GPR139
SCHEMBL3902491 0.88 KCNA5 (0.38)
SCHEMBL3900341 0.88 PDE2A (0.40) PDE2AMCL1ACLYKDM1A
SCHEMBL3901585 0.85 KCNA5 (0.38)
SCHEMBL3896549 0.84 L3MBTL1 (0.38) ACLY

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 PDE2A 2948/4885MCL1 1290/4885USP2 1084/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 PDE2A 2126/4885MCL1 1352/4885USP2 765/4885

“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.