Sugi Predict

Sugi Predict / Compounds / SCHEMBL3903086

SCHEMBL3903086

SCHEMBL3903086

O=S(=O)(O)c1ccc(Br)c2nsnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CCKBR P32239 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ COMT P21964 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL3901317 0.79 SMN1; SMN2 (0.54) MAPTKDM4EMAPK1CCKBRSMN1; SMN2
SCHEMBL4936444 0.79 TET2 (0.46) MAPTKDM4EMAPK1SMN1; SMN2COMT
SCHEMBL246997 0.78 MAPT (0.44) MAPTKDM4EMAPK1CCKBRALDH1A1
SCHEMBL3138057 0.72 ALDH1A1 (0.63) MAPTALDH1A1POLBCYP1A2RAB9A
SCHEMBL3500515 0.71 KDM4E (0.42) MAPTKDM4EMAPK1CCKBRALDH1A1
Hydrochloric Acid SCHEMBL27326488 0.70 ALDH1A1 (0.61) MAPTALDH1A1POLBCYP1A2RAB9A
SCHEMBL20428806 0.70 MAPT (0.40) MAPTKDM4EMAPK1ALDH1A1POLB
SCHEMBL9615691 0.69 CA2 (0.33) SMN1; SMN2COMTALDH1A1CYP1A2ALOX15
SCHEMBL31357038 0.69 CA2 (0.33) SMN1; SMN2COMTALDH1A1CYP1A2ALOX15
SCHEMBL6771382 0.69 CA2 (0.33) SMN1; SMN2COMTALDH1A1CYP1A2ALOX15

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 MAPT 4478/4885KDM4E 4124/4885MAPK1 597/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 MAPT 4689/4885KDM4E 3591/4885MAPK1 372/4885

“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.