SCHEMBL29397392

SCHEMBL29397392

NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
MME P08473 5/20 0.39
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
QRFPR Q96P65 2/20 0.36
TERT O14746 1/20 0.35
NMT2 O60551 2/20 0.34
NMT1 P30419 2/20 0.34
CA2 P00918 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CA1 P00915 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL30674928 1.00 TGFBR1 (0.42) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL29475227 1.00 TGFBR1 (0.42) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL29714329 1.00 TGFBR1 (0.42) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL29597633 1.00 TGFBR1 (0.42) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL29530629 1.00 TGFBR1 (0.42) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL30956646 0.97 TGFBR1 (0.40) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL31424011 0.97 TGFBR1 (0.40) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL31423993 0.97 TGFBR1 (0.40) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL30988909 0.97 TGFBR1 (0.40) TGFBR1MMEPTGS1GSTK1QRFPR
SCHEMBL30956647 0.97 TGFBR1 (0.40) TGFBR1MMEPTGS1GSTK1QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039710-B1 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI SA (FR) 2026-03-25 EP disclosed
EP-4453236-B1 METHODS AND SYSTEMS FOR ANALYZING TARGET ENGAGEMENT DATA FROM BIOLOGICAL ASSAYS US HEALTH (US) 2025-09-10 EP disclosed
US-20250130234-A1 METHODS AND SYSTEMS FOR ANALYZING TARGET ENGAGEMENT DATA FROM BIOLOGICAL ASSAYS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-04-24 US disclosed
US-12168681-B2 Il-2 variants with reduced binding to IL-2 receptor alpha and uses thereof REGENERON PHARMACEUTICALS, INC. (US) 2024-12-17 US disclosed
EP-4453236-A1 METHODS AND SYSTEMS FOR ANALYZING TARGET ENGAGEMENT DATA FROM BIOLOGICAL ASSAYS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2024-10-30 EP disclosed
WO-2024194649-A1 ENGINEERED T CELLS AND USES THEREOF Quell Therapeutics Limited (GB) 2024-09-26 WO disclosed
US-20240067690-A1 IL-2 VARIANTS WITH REDUCED BINDING TO IL-2 RECEPTOR ALPHA AND USES THEREOF REGENERON PHARMACEUTICALS, INC. 2024-02-29 US disclosed
US-20230416725-A1 SYSTEMS FOR GENE EDITING AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-28 US disclosed
US-11834485-B2 IL-2 variants with reduced binding to IL-2 receptor alpha and uses thereof REGENERON PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
US-20230257756-A1 REAL-TIME CELLULAR THERMAL SHIFT ASSAY (RT-CETSA) FOR RESEARCH AND DRUG DISCOVERY THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 US disclosed
WO-2023122685-A1 METHODS AND SYSTEMS FOR ANALYZING TARGET ENGAGEMENT DATA FROM BIOLOGICAL ASSAYS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-06-29 WO disclosed
EP-4192976-A1 REAL-TIME CELLULAR THERMAL SHIFT ASSAY (RT-CETSA) FOR RESEARCH AND DRUG DISCOVERY The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-06-14 EP disclosed
EP-4139341-A1 IL-2 VARIANTS WITH REDUCED BINDING TO IL-2 RECEPTOR ALPHA AND USES THEREOF Regeneron Pharmaceuticals, Inc. (US) 2023-03-01 EP disclosed
EP-4039710-A2 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI (FR) 2022-08-10 EP disclosed
CN-114230668-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 CN disclosed
CN-114230667-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 CN disclosed
WO-2022060707-A1 SYSTEMS FOR GENE EDITING AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-03-24 WO disclosed
WO-2022035743-A1 REAL-TIME CELLULAR THERMAL SHIFT ASSAY (RT-CETSA) FOR RESEARCH AND DRUG DISCOVERY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-02-17 WO disclosed