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Sugi Predict / Compounds / SCHEMBL3899991

SCHEMBL3899991

SCHEMBL3899991

O=C(NCc1ccc(F)cc1F)c1cc(Cl)ccc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MET P08581 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ AKR1B1 P15121 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCR2 P41597 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
SCHEMBL3903714 0.94 KCNA5 (0.40) KCNA5TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL3913111 0.94 CCKBR (0.36) KCNA5KDM4EALDH1A1METMAOB
SCHEMBL3899659 0.90 KDM4E (0.45) KCNA5KDM4EALDH1A1MAPTKMT2A
SCHEMBL3903066 0.90 KCNA5 (0.42) KCNA5KDM4EALDH1A1LMNAMAPK1
SCHEMBL3900371 0.90 CCKBR (0.40) KCNA5AKR1B1CCR2
SCHEMBL3902461 0.89 EPHX2 (0.39) LMNAMAPTKMT2ACCR2
SCHEMBL3899820 0.87 AKR1B1 (0.46) KCNA5ALDH1A1LMNATP53MAPT
SCHEMBL3901666 0.86 AKR1B1 (0.38) KCNA5KDM4EALDH1A1TP53MAPT
SCHEMBL3898359 0.86 MET (0.37) KCNA5KDM4EALDH1A1MAPTKMT2A
SCHEMBL3900087 0.86 ALDH1A1 (0.43) KDM4EALDH1A1LMNATP53MAPT

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 KCNA5 4123/4885TAS1R3 58/4885TAS1R1 69/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KCNA5 3959/4885TAS1R3 56/4885TAS1R1 41/4885

“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.