Sugi Predict

Sugi Predict / Compounds / SCHEMBL3448016

SCHEMBL3448016

SCHEMBL3448016

CCC(CC)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.52
▸ CTSS P25774 6/20 0.52
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ PREP P48147 1/20 0.40

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
SCHEMBL7273189 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL18614255 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL10075925 0.92 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL2577312 0.85 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL12189206 0.84 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL1312300 0.84 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL1312301 0.84 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL2159319 0.84 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL16710011 0.84 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL905289 0.84 CTSS (0.67) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 — — US disclosed
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 — — US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
US-20250059171-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-02-20 — — US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
EP-4444711-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-10-16 — — EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
US-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2023-08-17 — — US disclosed
WO-2023104882-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-06-15 — — WO disclosed
CN-110183433-A Pyrazole compound and preparation method thereof and purposes 华东理工大学 2019-08-30 — — CN disclosed
EP-3218391-B1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2019-01-09 — — EP disclosed
US-10077287-B2 Tubulysin analogs and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-18 — — US disclosed
EP-3218391-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
WO-2016077260-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 — — US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 — — US disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 — — WO disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 — — US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 — — EP 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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB CTSK 19/4885CTSS 26/4885CA1 1536/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSK 4661/4885CTSS 4022/4885CA1 2824/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CTSK 2169/4885CTSS 2692/4885CA1 4877/4885
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE CCNY, CDC45, TPX2 CTSK 1214/4885CTSS 1129/4885CA1 4208/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CTSK 3397/4885CTSS 2756/4885CA1 3881/4885
US-10077287-B2 Tubulysin analogs and methods of making and use CCNY, CDC45, TPX2 CTSK 1214/4885CTSS 1129/4885CA1 4208/4885
US-20250059171-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, ACE, EIF2AK2 CTSK 125/4885CTSS 95/4885CA1 3292/4885

“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.