Sugi Predict

Sugi Predict / Compounds / SCHEMBL3961225

SCHEMBL3961225

SCHEMBL3961225

O=C1NS(=O)(=O)c2cccc(Br)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.62
▸ GRK5 P34947 2/20 0.62
▸ TYRO3 Q06418 2/20 0.62
▸ DYRK1B Q9Y463 2/20 0.62
▸ CA12 O43570 15/20 0.54
▸ CA9 Q16790 15/20 0.54
▸ CA2 P00918 14/20 0.54
▸ CA1 P00915 11/20 0.54
▸ CA7 P43166 11/20 0.54
▸ CA4 P22748 8/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ ALPI P09923 2/20 0.43

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
SCHEMBL7381362 0.77 RET (0.62) RETGRK5TYRO3DYRK1BCA12
SCHEMBL9620282 0.77 RET (0.62) RETGRK5TYRO3DYRK1BCA12
SCHEMBL30834818 0.77 RET (0.62) RETGRK5TYRO3DYRK1BCA12
SCHEMBL7023285 0.77 RET (0.62) RETGRK5TYRO3DYRK1BCA12
SCHEMBL5204879 0.77 RET (0.62) RETGRK5TYRO3DYRK1BCA12
SCHEMBL1725776 0.77 RET (1.00) RETGRK5TYRO3DYRK1BCA12
SCHEMBL11155230 0.76 RET (0.61) RETGRK5TYRO3DYRK1BCA12
SCHEMBL31503398 0.74 RET (0.46) RETGRK5TYRO3DYRK1BCA12
SCHEMBL7280743 0.74 RET (0.59) RETGRK5TYRO3DYRK1BCA12
SCHEMBL7287275 0.73 RET (0.57) RETGRK5TYRO3DYRK1BCA12

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
WO-2009029998-A1 RETROMETABOLIC COMPOUNDS CYTOPIA RESEARCH PTY LTD (AU) 2009-03-12 — — WO disclosed
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 — — EP disclosed
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 — — US disclosed
US-5856349-A 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-01-05 — — US disclosed
US-5783589-A 2-saccharinylmethyl aryl and arloxy acetates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1998-07-21 — — US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 — — EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 — — EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 — — EP disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 — — EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 — — US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 — — US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 — — EP disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF — 1992-04-08 — — EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 — — EP disclosed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 — — WO 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-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX RET 1832/4885GRK5 2851/4885TYRO3 3638/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX RET 1974/4885GRK5 2861/4885TYRO3 3699/4885

“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.