SCHEMBL3900875

SCHEMBL3900875

O=C(NCc1ccccc1F)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.40
KCNA5 P22460 1/20 0.37
IDH1 O75874 1/20 0.37
CCKAR P32238 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL3900371 0.93 CCKBR (0.40) CCKBRKCNA5CCKAR
SCHEMBL3899498 0.93 ALDH1A1 (0.44) CCKBRKCNA5CCKARALDH1A1KDM4E
SCHEMBL3913111 0.91 CCKBR (0.36) CCKBRKCNA5CCKARALDH1A1KDM4E
SCHEMBL3899486 0.91 ALDH1A1 (0.43) CCKBRKCNA5CCKARALDH1A1KDM4E
SCHEMBL3907644 0.91 PRNP (0.43) CCKBRKCNA5CCKARALDH1A1KDM4E
SCHEMBL3909971 0.91 CCKBR (0.41) CCKBRKCNA5CCKAR
SCHEMBL3898564 0.91 CCKBR (0.38) CCKBRKCNA5CCKARMAPTKMT2A
SCHEMBL3899820 0.90 AKR1B1 (0.46) CCKBRKCNA5CCKARALDH1A1CNR1
SCHEMBL3901987 0.89 CCKBR (0.38) CCKBRKCNA5IDH1CCKARALDH1A1
SCHEMBL3900245 0.89 CCKBR (0.38) CCKBRKCNA5CCKARALDH1A1KDM4E

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 1/4885KCNA5 4123/4885IDH1 4243/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885KCNA5 3959/4885IDH1 4301/4885

“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.