SCHEMBL2117112

SCHEMBL2117112

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
GSR P00390 1/20 0.48
MMP2 P08253 1/20 0.47
DPP7 Q9UHL4 5/20 0.46
TERT O14746 3/20 0.45
RRM1 P23921 1/20 0.45
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP4 P27487 2/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
NOS1 P29475 1/20 0.40
TLR2 O60603 1/20 0.39

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
SCHEMBL27182738 1.00 GNAI3 (0.50) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL2117109 1.00 GNAI3 (0.50) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL345265 0.94 GNAI3 (0.57) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL345264 0.94 GNAI3 (0.57) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL29531486 0.94 GNAI3 (0.57) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL14043915 0.93 TERT (0.47) GNAI3GNAO1GNAI1GSRMMP2
Hydrochloric Acid SCHEMBL23608082 0.93 GNAI3 (0.55) GNAI3GNAO1GNAI1GSRMMP2
Hydrochloric Acid SCHEMBL8939074 0.93 GNAI3 (0.55) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL28294122 0.93 GNAI3 (0.55) GNAI3GNAO1GNAI1GSRMMP2
SCHEMBL9815344 0.93 GNAI3 (0.59) GNAI3GNAO1GNAI1GSRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055088-A1 CXCR4 Antagonists for Wound Healing and Re-Epithelialization HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2010-03-04 US claimed
US-20040116655-A1 Novel polypeptides and anti-hiv drugs containing the same BIOKINE THERAPEUTICS LTD. (IL) 2004-06-17 US claimed
EP-1323730-A1 NOVEL POLYPEPTIDES AND ANTI-HIV DRUGS CONTAINING THE SAME SEIKAGAKU CORPORATION (JP) 2003-07-02 EP claimed
EP-0677061-B1 POLYPEPTIDES AND ANTI-HIV AGENTS PREPARED THEREFROM SEIKAGAKU KOGYO CO LTD (JP) 1999-03-03 EP claimed
US-5776899-A Polypeptide and anti-HIV agent prepared therefrom SEIKAGAKU CORPORATION (JP) 1998-07-07 US claimed
CN-1038841-C Polypeptide and anti-hiv agent prepared therefrom SEIKAGAKU CO (JP) 1998-06-24 CN claimed
CN-1116427-A Novel polypeptide and anti-HIV agent prepared from the same SEIKAGAKU KOGYO CO LTD (JP) 1996-02-07 CN claimed
EP-0677061-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-10-18 EP claimed
WO-1995010534-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-04-20 WO claimed
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 US disclosed
WO-2022224259-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2022-10-27 WO disclosed
EP-3011961-B1 4F-BENZOYL-TN14003 FOR THE MOBILISATION OF HEMATOPOIETIC PROGENITOR CELLS IN VIEW OF TRANSPLANTATION BIOKINE THERAPEUTICS LTD (IL) 2020-11-11 EP disclosed
EP-2841084-B1 CXCR4 ANTAGONIST PEPTIDE FOR USE IN THE TREATMENT OF LARGE CELL LUNG CANCER BIOKINE THERAPEUTICS LTD (IL) 2018-05-30 EP disclosed
US-9439942-B2 Peptides and use thereof in the treatment of large cell lung cancer BIOKINE THERAPEUTICS LTD. (IL) 2016-09-13 US disclosed
CN-1038841-C Polypeptide and anti-hiv agent prepared therefrom SEIKAGAKU CO (JP) 1998-06-24 CN disclosed
CN-1116427-A Novel polypeptide and anti-HIV agent prepared from the same SEIKAGAKU KOGYO CO LTD (JP) 1996-02-07 CN disclosed
EP-0677061-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-10-18 EP disclosed
EP-0677061-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-10-18 EP disclosed
WO-1995010534-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-04-20 WO disclosed
WO-1995010534-A1 POLYPEPTIDE AND ANTI-HIV AGENT PREPARED THEREFROM SEIKAGAKU CORPORATION (JP) 1995-04-20 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 (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-20100055088-A1 CXCR4 Antagonists for Wound Healing and Re-Epithelialization CXCR4, CXCL12, CXCR5 GNAI3 1817/4885GNAO1 2144/4885GNAI1 1612/4885
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME PTMS, SRMS, SGMS1 GNAI3 3997/4885GNAO1 3773/4885GNAI1 3393/4885

“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.