SCHEMBL3903085

SCHEMBL3903085

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
AKR1B1 P15121 2/20 0.35
P2RX7 Q99572 4/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 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
SCHEMBL3901666 0.93 AKR1B1 (0.38) CCKBRAKR1B1TP53MAPTPOLB
SCHEMBL3902461 0.92 EPHX2 (0.39) CCKBRROCK2ROCK1P2RX7CYP2D6
SCHEMBL3897964 0.92 CCKBR (0.41) CCKBRAKR1B1EPHX2MAPT
SCHEMBL3903033 0.91 ROCK2 (0.38) ROCK2ROCK1P2RX7CYP2D6PKM
SCHEMBL3900184 0.91 ROCK2 (0.36) ROCK2ROCK1AKR1B1P2RX7CYP2D6
SCHEMBL3900087 0.90 ALDH1A1 (0.43) ROCK2ROCK1P2RX7CYP2D6PKM
SCHEMBL3899820 0.88 AKR1B1 (0.46) CCKBRAKR1B1KMT2ATP53MAPT
SCHEMBL3903714 0.88 KCNA5 (0.40) ROCK2ROCK1P2RX7CYP2D6PKM
SCHEMBL3913111 0.87 CCKBR (0.36) CCKBRAKR1B1EPHX2
SCHEMBL3900812 0.87 MEN1 (0.32) CCKBRMEN1KMT2A

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 1/4885ROCK2 1915/4885ROCK1 4164/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885ROCK2 2030/4885ROCK1 3912/4885

“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.