Sugi Predict

Sugi Predict / Compounds / SCHEMBL83699

SCHEMBL83699

SCHEMBL83699

CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CTSK P43235 9/20 0.46
▸ CTSS P25774 6/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL57432 1.00 CA2 (0.50) CA2CA1CA7CTSKCTSS
SCHEMBL90052 1.00 CA2 (0.50) CA2CA1CA7CTSKCTSS
SCHEMBL464290 0.93 CTSK (0.45) CA2CA1CA7CTSKCTSS
SCHEMBL30673406 0.86 CA1 (0.46) CA2CA1CA7CTSKCTSS
SCHEMBL206502 0.86 CA1 (0.44) CA2CA1CA7CTSKCTSS
SCHEMBL873787 0.86 CA1 (0.44) CA2CA1CA7CTSKCTSS
SCHEMBL873398 0.86 CA1 (0.44) CA2CA1CA7CTSKCTSS
SCHEMBL23722683 0.84 CA1 (0.43) CA2CA1CA7CTSKCTSS
SCHEMBL3805811 0.84 CTSK (0.44) CA2CA1CA7CTSKCTSS
SCHEMBL21746358 0.84 CA1 (0.43) CA2CA1CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108937-A Synthesis method of alpha-azidoketone containing three-level stereocenter 常州大学 2022-09-27 — — CN claimed
US-20250243196-A1 CITRON KINASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION 2025-07-31 — — US disclosed
US-20250228882-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VENATORX PHARMACEUTICALS INC (US) 2025-07-17 — — US disclosed
CN-119613312-A With C2Chiral primary amine catalyst with axisymmetric structure, and preparation method and application thereof 石河子大学 2025-03-14 — — CN disclosed
US-20240368096-A1 Fused Heterobicyclic Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2024-11-07 — — US disclosed
US-12102648-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2024-10-01 — — US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 — — CN disclosed
US-20240140922-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2024-05-02 — — US disclosed
EP-4355755-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS Venatorx Pharmaceuticals, Inc. (US) 2024-04-24 — — EP disclosed
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 — — WO disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 — — US disclosed
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 — — US disclosed
WO-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 — — WO disclosed
US-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 — — US disclosed
EP-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 — — EP disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
US-20020090728-A1 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-11 — — US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 — — US disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 — — 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 (9 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 CA2 629/4885CA1 574/4885CA7 2035/4885
US-20240368096-A1 Fused Heterobicyclic Antiviral Agents HAVCR2, HDGF, SLC10A1 CA2 2689/4885CA1 3381/4885CA7 2827/4885
US-20240140922-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS HAVCR2, HDGF, SLC10A1 CA2 2980/4885CA1 3564/4885CA7 3071/4885
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives HCRTR2, HCRTR1, OPRL1 CA2 4014/4885CA1 4647/4885CA7 4487/4885
US-12102648-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP CA2 4634/4885CA1 4839/4885CA7 4444/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 CA2 2641/4885CA1 4862/4885CA7 4549/4885
US-20250243196-A1 CITRON KINASE INHIBITORS CHEK2, CILK1, DCK CA2 1566/4885CA1 1132/4885CA7 1177/4885
US-20250228882-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP CA2 4634/4885CA1 4839/4885CA7 4444/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 CA2 3204/4885CA1 2946/4885CA7 3479/4885

“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.