Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000791

SCHEMBL2000791

SCHEMBL2000791

COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ KLK5 Q9Y337 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AAK1 Q2M2I8 5/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL2000789 1.00 SIRT2 (0.48) SIRT2CTSSCTSKKLK5ALDH1A1
SCHEMBL2002586 0.89 CTSS (0.50) SIRT2CTSSCTSKALDH1A1MAPT
SCHEMBL4066188 0.89 CTSS (0.50) SIRT2CTSSCTSKALDH1A1MAPT
SCHEMBL16645014 0.87 KLK5 (0.45) CTSSCTSKKLK5ALDH1A1MAPT
SCHEMBL8232460 0.87 KLK5 (0.45) CTSSCTSKKLK5ALDH1A1MAPT
SCHEMBL4074909 0.87 CTSS (0.46) CTSSCTSKKLK5HDAC6HDAC1
SCHEMBL6560965 0.87 CTSS (0.46) CTSSCTSKKLK5HDAC6HDAC1
SCHEMBL23963101 0.86 PPARG (0.44) CTSSKLK5ALDH1A1HDAC6HDAC1
SCHEMBL20821189 0.86 CTSS (0.47) CTSSCTSKKLK5HDAC6HDAC1
SCHEMBL18082636 0.86 TRPA1 (0.52) CTSSCTSKKLK5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 — — US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 — — US disclosed
EP-2842945-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2016-10-26 — — EP disclosed
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
CN-104395297-B Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO CO.,INC. (JP) 2016-05-04 — — CN disclosed
WO-2015033120-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2015-03-12 — — WO disclosed
EP-2842945-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., INC. (JP) 2015-03-04 — — EP disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 — — US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 — — WO disclosed
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 — — WO disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 — — WO disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 — — WO disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 — — WO disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 — — 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 (4 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP SIRT2 501/4885CTSS 2684/4885CTSK 1960/4885
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES HRH3, CYTH3, CYTH2 SIRT2 3632/4885CTSS 4183/4885CTSK 4236/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR SIRT2 813/4885CTSS 3491/4885CTSK 2690/4885
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 SIRT2 1477/4885CTSS 1999/4885CTSK 3803/4885

“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.