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Sugi Predict / Compounds / SCHEMBL3896972

SCHEMBL3896972

SCHEMBL3896972

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(I)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.38
▸ EPHX2 P34913 3/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ CCKBR P32239 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NLRP1 Q9C000 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ CCKAR P32238 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
SCHEMBL3901987 0.94 CCKBR (0.38) EPHX2KCNA5CCKBRLMNAMAPK1
SCHEMBL3900184 0.92 ROCK2 (0.36) AKR1B1EPHX2P2RX7
SCHEMBL3906756 0.91 CCKBR (0.33) AKR1B1KCNA5CCKBRCCKAR
SCHEMBL3897964 0.91 CCKBR (0.41) AKR1B1EPHX2KCNA5CCKBRLMNA
SCHEMBL3903734 0.91 EPHX2 (0.37) EPHX2KCNA5CCKBRLMNAMAPK1
SCHEMBL3903066 0.90 KCNA5 (0.42) EPHX2KCNA5LMNAMAPK1NLRP1
SCHEMBL3900199 0.90 ALDH1A1 (0.44) EPHX2KCNA5CCKBRLMNAMAPK1
SCHEMBL3902461 0.89 EPHX2 (0.39) EPHX2CCKBRLMNAP2RX7
SCHEMBL3899498 0.88 ALDH1A1 (0.44) KCNA5CCKBRLMNAALDH1A1KDM4E
SCHEMBL3902502 0.88 CCKBR (0.34) KCNA5CCKBRALDH1A1KDM4ERCE1

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 3714/4885EPHX2 2669/4885KCNA5 4123/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 AKR1B1 3633/4885EPHX2 2457/4885KCNA5 3959/4885

“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.