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Sugi Predict / Compounds / SCHEMBL3897005

SCHEMBL3897005

SCHEMBL3897005

CC(NC(=O)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.39
▸ PTGER2 P43116 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCKBR P32239 6/20 0.36
▸ CCKAR P32238 5/20 0.36
▸ KCNA5 P22460 2/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN1B Q07699 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 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
SCHEMBL3909064 0.93 KCNA5 (0.42) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL5442656 0.93 KCNA5 (0.42) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL3901296 0.92 CCKBR (0.39) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL5641569 0.92 KCNA5 (0.42) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL3909965 0.92 KCNA5 (0.42) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL3900169 0.91 CCR2 (0.37) ALDH1A1CCKBRCCKARKCNA5SCN1A
SCHEMBL3909994 0.90 CCKBR (0.44) KMT2AMEN1ALDH1A1CCKBRCCKAR
SCHEMBL3906706 0.90 L3MBTL1 (0.37) KDM4EALDH1A1CCKBRCCKARKCNA5
SCHEMBL3895732 0.89 KCNA5 (0.35) KMT2AKDM4EMEN1ALDH1A1CCKBR
SCHEMBL3896549 0.88 L3MBTL1 (0.38) KMT2AMEN1CCKBRCCKARKCNA5

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 PTGER4 1459/4885PTGER2 168/4885KMT2A 3053/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 PTGER4 1355/4885PTGER2 166/4885KMT2A 3281/4885

“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.