SCHEMBL1819934

SCHEMBL1819934

COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.53
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
ABCB1 P08183 1/20 0.49
BCL2 P10415 1/20 0.49
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
P2RX7 Q99572 2/20 0.46
ACE P12821 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL864694 1.00 KLK5 (0.53) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL7442384 1.00 KLK5 (0.53) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2856826 0.94 ITGB3 (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2856829 0.94 ITGB3 (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL919043 0.91 ITGB3 (0.49) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2858945 0.91 ITGB3 (0.49) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2853779 0.91 ITGB3 (0.61) ITGB3ITGA2BCTSSCTSKABCB1
SCHEMBL1932580 0.91 ITGB3 (0.61) ITGB3ITGA2BCTSSCTSKABCB1
SCHEMBL2847835 0.91 ITGB3 (0.61) ITGB3ITGA2BCTSSCTSKABCB1
SCHEMBL16469894 0.90 ITGB3 (0.48) KLK5ITGB3ITGA2BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
EP-3318260-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
EP-3318260-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
EP-3318260-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2018-05-09 EP disclosed
EP-3318260-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2018-05-09 EP disclosed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP disclosed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP disclosed
WO-2017141193-A1 PROCESS FOR THE PREPARATION OF SACUBITRIL OR SALTS THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-08-24 WO disclosed
CN-106414413-A Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2017-02-15 CN disclosed
US-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed
US-5217996-A Endopeptidase inhibitors CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 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
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP 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 (1 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-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN HBB, HBG2, HBG1 KLK5 3689/4885ITGB3 1504/4885ITGA2B 264/4885

“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.