Sugi Predict

Sugi Predict / Compounds / SCHEMBL3899659

SCHEMBL3899659

SCHEMBL3899659

O=C(NCc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ ALDH1A1 P00352 9/20 0.43
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNA5 P22460 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ KCNK5 O95279 1/20 0.37
▸ KCNK17 Q96T54 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ MET P08581 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL3900087 0.93 ALDH1A1 (0.43) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3899991 0.90 KCNA5 (0.40) KDM4EALDH1A1KMT2AKCNA5MET
SCHEMBL3902675 0.90 KDM4E (0.42) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3901666 0.89 AKR1B1 (0.38) KDM4EALDH1A1KCNA5METMAOB
SCHEMBL3903849 0.89 AKR1B1 (0.36) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3913111 0.89 CCKBR (0.36) KDM4EALDH1A1KCNA5METMAOB
SCHEMBL3898359 0.89 MET (0.37) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3900199 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2AKCNA5
SCHEMBL3907650 0.85 KMT2A (0.39) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3900371 0.85 CCKBR (0.40) KCNA5AKR1B1

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 KDM4E 4124/4885ALDH1A1 3254/4885PKM 3580/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KDM4E 3591/4885ALDH1A1 1824/4885PKM 3769/4885

“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.