Sugi Predict

Sugi Predict / Compounds / SCHEMBL3798700

SCHEMBL3798700

SCHEMBL3798700

O=C(NCCS(=O)(=O)O)OCc1ccccc1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HTT P42858 1/20 0.60
▸ TGM2 P21980 1/20 0.57
▸ KEAP1 Q14145 2/20 0.54
▸ NFE2L2 Q16236 2/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ SLC1A3 P43003 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48

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
SCHEMBL4061201 0.98 LMNA (0.65) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL918470 0.91 HTT (0.65) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL917788 0.91 HTT (0.65) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL6908655 0.90 HTT (0.57) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL3309927 0.90 HTT (0.67) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL917878 0.90 HTT (0.67) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL6051915 0.89 HTT (0.56) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL2795077 0.85 LMNA (0.63) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL6284365 0.85 LMNA (0.63) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL10873001 0.85 LMNA (0.63) LMNASMN1; SMN2HTTTGM2KEAP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643308-B1 PROCESS FOR THE PREPARATION OF TAUROLIDINE AND ITS INTERMEDIATES THEREOF BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2016-08-17 — — EP disclosed
US-9067925-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-06-30 — — US disclosed
EP-1404860-B1 DELIVERY SYSTEM FOR NUCLEIC ACIDS SCRIPPS RESEARCH INST (US) 2013-11-20 — — EP disclosed
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 — — US disclosed
EP-1404860-A4 DELIVERY SYSTEM FOR NUCLEIC ACIDS SCRIPPS RESEARCH INST (US) 2007-11-14 — — EP disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 — — EP disclosed
US-20060188560-A1 Delivery system for nucleic acids NATIONAL INSTITUTES OF HEALTH - DEITR 2006-08-24 — — US disclosed
US-7025987-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2006-04-11 — — US disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US disclosed
WO-2004070009-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME INC. (US) 2004-08-19 — — WO disclosed
EP-1404860-A2 DELIVERY SYSTEM FOR NUCLEIC ACIDS The Scripps Research Institute (US) 2004-04-07 — — EP disclosed
EP-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 — — EP disclosed
US-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 — — US disclosed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 — — US disclosed
US-20030092655-A1 Delivery system for nucleic acids SCRIPPS RESEARCH INSTITUTE, THE 2003-05-15 — — US disclosed
WO-2002097116-A2 DELIVERY SYSTEM FOR NUCLEIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2002-12-05 — — WO disclosed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 — — 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 (5 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-20030133972-A1 Targeted multivalent macromolecules CLTB, ILK, CD44 LMNA 1707/4885SMN1; SMN2 2078/4885HTT 1076/4885
US-20030092655-A1 Delivery system for nucleic acids ITGAV, ITGB3, ITGAL LMNA 710/4885SMN1; SMN2 2514/4885HTT 3721/4885
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 LMNA 309/4885SMN1; SMN2 4398/4885HTT 1491/4885
US-20060188560-A1 Delivery system for nucleic acids ITGAV, ITGB3, ITGA4 LMNA 837/4885SMN1; SMN2 3139/4885HTT 3994/4885
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity CD47, TSG101, ILK LMNA 1020/4885SMN1; SMN2 1098/4885HTT 834/4885

“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.