SCHEMBL4934738

SCHEMBL4934738

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nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
AAK1 Q2M2I8 4/20 0.47
CYP2D6 P10635 1/20 0.45
CAPN1 P07384 1/20 0.45
ATM Q13315 1/20 0.42
PLA2G10 O15496 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL56754 1.00 CTSS (0.51) CTSSCTSKCTSLCTSBCA1
SCHEMBL56753 1.00 CTSS (0.51) CTSSCTSKCTSLCTSBCA1
SCHEMBL6684772 0.88 CA1 (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL19227630 0.88 CA1 (0.58) CTSSCTSKCTSLCTSBCA1
SCHEMBL24387611 0.85 CA1 (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL24387604 0.85 CA1 (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL9506672 0.84 CYP2D6 (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL7434716 0.84 PLA2G10 (0.51) CTSSCTSKCTSLCTSBCA1
SCHEMBL24900084 0.84 CA1 (0.47) CTSSCTSKCTSLCTSBCA1
SCHEMBL2385476 0.83 CTSK (0.49) CTSSCTSKCTSLCTSBCA1

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 33 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
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-20250037039-A1 MOLECULAR DATA STORAGE USING COST-FREE MOLECULAR LIBRARIES BROWN UNIVERSITY 2025-01-30 US disclosed
EP-4237086-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-09-06 EP disclosed
US-20230027270-A1 METHODS OF CHEMICAL COMPUTATION BROWN UNIVERSITY 2023-01-26 US disclosed
WO-2023283831-A1 VIRUS MAIN PROTEASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE 上海药明康德新药开发有限公司 2023-01-19 WO disclosed
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
US-20160176894-A1 TAXANE AND ABEO-TAXANE ANALOGS Arbor Therapeutics, LLC (US) 2016-06-23 US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
US-20030212250-A1 Improved proteolytic enzyme resistance SEEBACH DIETER (CH) 2003-11-13 US disclosed
US-6617425-B1 Of given formula; stable in solution and resistant to proteolytic degradation; use in drug formulations NOVARTIS AG (CH) 2003-09-09 US disclosed
EP-0906272-B1 PEPTIDES NOVARTIS AG (CH) 2003-06-04 EP disclosed
EP-0906272-A2 PEPTIDES Novartis AG (CH) 1999-04-07 EP disclosed
WO-1997047593-A2 PEPTIDES NOVARTIS AG (CH) 1997-12-18 WO disclosed
US-5502036-A VIRICIDES BIOMEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-03-26 US disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 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 (4 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTSS 3490/4885CTSK 4240/4885CTSL 4205/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSS 4022/4885CTSK 4661/4885CTSL 1563/4885
US-20030212250-A1 Improved proteolytic enzyme resistance PEPD, ANPEP, PREP CTSS 59/4885CTSK 84/4885CTSL 69/4885
US-20160176894-A1 TAXANE AND ABEO-TAXANE ANALOGS AR, THPO, DPYD CTSS 4405/4885CTSK 3223/4885CTSL 3423/4885

“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.