Sugi Predict

Sugi Predict / Compounds / SCHEMBL1111097

SCHEMBL1111097

SCHEMBL1111097

COC(=O)[C@@H](CCO)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ SIRT1 Q96EB6 1/20 0.56
▸ SIRT3 Q9NTG7 1/20 0.56
▸ CTSK P43235 5/20 0.55
▸ CTSS P25774 4/20 0.54
▸ CTSL P07711 3/20 0.54
▸ CTSB P07858 2/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ TACR1 P25103 2/20 0.52
▸ CTRB1 P17538 2/20 0.51

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
SCHEMBL1068617 1.00 KYNU (0.62) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL1068619 1.00 KYNU (0.62) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL806841 0.92 SIRT2 (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL1110961 0.92 SIRT2 (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL1110959 0.92 SIRT2 (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL6059278 0.91 CTSK (0.54) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL7215503 0.91 CTSK (0.54) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL8386880 0.90 SIRT2 (0.67) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL15613297 0.89 CTSK (0.65) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL22161320 0.89 CTSK (0.65) KYNUALDH1A1ALOX15SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 — — US disclosed
WO-2023072297-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-05-04 — — WO disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 — — US disclosed
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmacéuticals Incorporated 2020-12-03 — — US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 — — US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 — — US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 — — WO disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 — — WO disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 — — US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 — — EP disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 — — US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 — — US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 — — EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 — — US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 — — EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 — — WO disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 — — WO disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 — — WO disclosed
EP-0068551-B1 NON-NUTRITIVE SWEETENERS THE PROCTER & GAMBLE COMPANY (US) 1984-11-14 — — EP disclosed
US-4423029-A (S)-3-Amino-4-[(S,S)-1-(1-hydroxyethyl)alkyl amino]-4-oxo-butyric acid compounds suitable as non-nutritive sweetners THE PROCTER & GAMBLE COMPANY (US) 1983-12-27 — — 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-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 KYNU 3369/4885ALDH1A1 3319/4885ALOX15 434/4885
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 KYNU 1350/4885ALDH1A1 1458/4885ALOX15 1359/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 KYNU 1698/4885ALDH1A1 1854/4885ALOX15 334/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 KYNU 1424/4885ALDH1A1 2381/4885ALOX15 1633/4885
US-11618746-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 KYNU 2800/4885ALDH1A1 3269/4885ALOX15 308/4885
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, SAAL1, LOXL1 KYNU 3427/4885ALDH1A1 1956/4885ALOX15 425/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 KYNU 1087/4885ALDH1A1 1908/4885ALOX15 1500/4885

“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.