SCHEMBL2853779

SCHEMBL2853779

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
ACE P12821 1/20 0.56
PTPN1 P18031 3/20 0.53
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
KDM4E B2RXH2 1/20 0.52
KDM4A O75164 1/20 0.52
ABCB1 P08183 1/20 0.51
BCL2 P10415 1/20 0.51
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL2847835 1.00 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1932580 1.00 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2856826 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL18235378 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2856829 0.92 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL7442384 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL864694 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1819934 0.91 KLK5 (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL28706872 0.91 REN (0.52) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL31448103 0.91 ITGB3 (0.61) ITGB3ITGA2BACEPTPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
EP-4097092-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING Protego Biopharma, Inc. (US) 2022-12-07 EP disclosed
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLGY (KR) 2022-08-09 US disclosed
EP-3674303-B1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME GWANGJU INST SCIENCE & TECH (KR) 2022-07-20 EP disclosed
WO-2021154842-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. (US) 2021-08-05 WO disclosed
US-11066395-B2 Dimethylaminoethanol salt of a GLP-1 receptor modulator RECEPTOS LLC (US) 2021-07-20 US disclosed
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-05-27 US disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 EP disclosed
US-20200131164-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR RECEPTOS LLC 2020-04-30 US disclosed
US-20020010199-A1 Substituted cyclic amidine derivatives as inhibitors of cell adhesion MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-20010020017-A1 Squaric acid derivatives CELLTECH R&D LIMITED (GB) 2001-09-06 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed
US-6136842-A INHIBITION OF ENDOTHELIN-CONVERTING ENZYME HOECHST MARION ROUSSEL (FR) 2000-10-24 US disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 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 (7 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-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING TTR, TTPA, TNNC1 ITGB3 4718/4885ITGA2B 4784/4885ACE 87/4885
US-20200131164-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR GLP1R, GIPR, GPR119 ITGB3 4004/4885ITGA2B 4589/4885ACE 1448/4885
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same TPH1, TPH2, IDO1 ITGB3 4881/4885ITGA2B 4876/4885ACE 2059/4885
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME TPH1, TPH2, IDO1 ITGB3 4882/4885ITGA2B 4872/4885ACE 1963/4885
US-20010020017-A1 Squaric acid derivatives SUCNR1, HCAR1, CCR1 ITGB3 81/4885ITGA2B 170/4885ACE 2696/4885
US-11066395-B2 Dimethylaminoethanol salt of a GLP-1 receptor modulator GLP1R, GIPR, GPR119 ITGB3 4004/4885ITGA2B 4589/4885ACE 1448/4885
US-20020010199-A1 Substituted cyclic amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 ITGB3 21/4885ITGA2B 65/4885ACE 1460/4885

“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.