Sugi Predict

Sugi Predict / Compounds / SCHEMBL16680467

SCHEMBL16680467

SCHEMBL16680467

COC[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.61
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ OPRK1 P41145 1/20 0.46
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43

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
SCHEMBL26620399 0.96 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31495362 0.94 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL16680133 0.90 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL22034287 0.90 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL19959369 0.90 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL20129602 0.89 PARP1 (0.63) PARP1PDK1PDK2PDK3PDK4
SCHEMBL30440068 0.89 PARP1 (0.63) PARP1PDK1PDK2PDK3PDK4
SCHEMBL2420439 0.89 PARP1 (0.63) PARP1PDK1PDK2PDK3PDK4
SCHEMBL6334954 0.89 PARP1 (0.63) PARP1PDK1PDK2PDK3PDK4
SCHEMBL5413537 0.89 PARP1 (0.68) PARP1PDK1PDK2PDK3PDK4

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
EP-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 — — WO disclosed
US-20250122212-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 — — US disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 — — WO disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 — — US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 — — EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 — — 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 (2 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI PARP1 1941/4885PDK1 2423/4885PDK2 2610/4885
US-20250122212-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 PARP1 907/4885PDK1 834/4885PDK2 1357/4885

“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.