SCHEMBL2701068

SCHEMBL2701068

COC(=O)C(CCO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
CTSL P07711 4/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 3/20 0.48
ATM Q13315 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSK P43235 5/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
TRPM8 Q7Z2W7 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
SCHEMBL2701065 1.00 KYNU (0.52) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL19694732 1.00 KYNU (0.52) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL7055671 0.92 ITGB3 (0.53) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL20556338 0.92 ITGB3 (0.53) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL7285522 0.92 ITGB3 (0.53) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL1199066 0.88 KYNU (0.54) KYNUALDH1A1ALOX15CTSLCTSS
SCHEMBL15936883 0.88 KYNU (0.54) KYNUALDH1A1ALOX15CTSLCTSS
SCHEMBL1199068 0.88 KYNU (0.54) KYNUALDH1A1ALOX15CTSLCTSS
SCHEMBL1261829 0.87 PPARA (0.50) CTSLCTSSCTSBCTSK
SCHEMBL15354595 0.86 ATM (0.53) CTSLCTSSCTSBATMITGB3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176198-A Nitrogen-containing tetracyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-06-11 CN 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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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-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.