Sugi Predict

Sugi Predict / Compounds / SCHEMBL1068619

SCHEMBL1068619

SCHEMBL1068619

COC(=O)C(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
SCHEMBL1111097 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 — — EP disclosed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 — — EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 — — EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 — — US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 — — US disclosed
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 — — CN disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 — — US disclosed
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 — — CN 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
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 — — US 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
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 — — US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 — — 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
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 — — 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 (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-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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KYNU 939/4885ALDH1A1 1129/4885ALOX15 3068/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KYNU 2204/4885ALDH1A1 2364/4885ALOX15 3654/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KYNU 2204/4885ALDH1A1 2364/4885ALOX15 3654/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 KYNU 1087/4885ALDH1A1 1908/4885ALOX15 1500/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KYNU 2204/4885ALDH1A1 2364/4885ALOX15 3654/4885

“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.