SCHEMBL3901666

SCHEMBL3901666

O=C(NCc1ccc(F)cc1F)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.38
AKR1A1 P14550 1/20 0.36
CCKBR P32239 7/20 0.35
MET P08581 1/20 0.35
MAOB P27338 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CCKAR P32238 4/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNA5 P22460 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
SCHEMBL3903085 0.93 CCKBR (0.37) AKR1B1CCKBRMAPTTP53POLB
SCHEMBL3899820 0.91 AKR1B1 (0.46) AKR1B1AKR1A1CCKBRMAPTTP53
SCHEMBL3903849 0.90 AKR1B1 (0.36) AKR1B1METMAOBGSK3BKDM4E
SCHEMBL3913111 0.90 CCKBR (0.36) AKR1B1CCKBRMETMAOBGSK3B
SCHEMBL3898359 0.90 MET (0.37) METMAOBGSK3BKDM4EMAPT
SCHEMBL3897979 0.90 CCKBR (0.36) CCKBRKDM4EMAPTTP53ALDH1A1
SCHEMBL3899659 0.89 KDM4E (0.45) AKR1B1METMAOBGSK3BKDM4E
SCHEMBL3911978 0.87 CCKBR (0.40) CCKBRMAPTTP53PDE10ACCKAR
SCHEMBL3899991 0.86 KCNA5 (0.40) AKR1B1METMAOBGSK3BKDM4E
SCHEMBL3897964 0.86 CCKBR (0.41) AKR1B1CCKBRKDM4EMAPTALDH1A1

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 AKR1B1 3714/4885AKR1A1 4081/4885CCKBR 1/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 AKR1B1 3633/4885AKR1A1 3924/4885CCKBR 1/4885

“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.