SCHEMBL4265162

SCHEMBL4265162

CNC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.74
▸ GAA P10253 1/20 0.74
▸ TSHR P16473 1/20 0.71
▸ EPHX1 P07099 1/20 0.63
▸ DPP4 P27487 5/20 0.57
▸ DPP7 Q9UHL4 5/20 0.57
▸ KCNH2 Q12809 3/20 0.57
▸ CTSL P07711 1/20 0.56
▸ CTSB P07858 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ CPB1 P15086 1/20 0.53

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
SCHEMBL4271263 1.00 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4266803 1.00 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.92 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.92 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.92 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL16365074 0.92 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.91 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL14337555 0.88 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL12879965 0.88 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL12134997 0.88 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 — — US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 — — US disclosed
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 — — EP disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
US-7485632-B2 Cephalosporins NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2009-02-03 — — US disclosed
EP-1529050-B1 CEPHALOSPORINS SANDOZ AG (CH) 2006-05-24 — — EP disclosed
US-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas NABRIVA THERAPEUTICS AG (AT) 2005-10-20 — — US disclosed
EP-1529050-A1 CEPHALOSPORINS Sandoz AG (CH) 2005-05-11 — — EP disclosed
WO-2004007505-A1 CEPHALOSPORINS SANDOZ AG (CH) 2004-01-22 — — 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 (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-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas CD14, GNE, ECH1 ALDH1A1 1071/4885GAA 912/4885TSHR 4164/4885
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 ALDH1A1 2752/4885GAA 2669/4885TSHR 3869/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 4008/4885GAA 2658/4885TSHR 3971/4885

“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.

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