SCHEMBL2687510

SCHEMBL2687510

N[C@@H]1CCN2C(=O)[C@H](CC(=O)O)NC(=O)C12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ ITGB3 P05106 7/20 0.34
▸ ITGAV P06756 4/20 0.34
▸ ITGA2B P08514 4/20 0.33
▸ ITGB1 P05556 3/20 0.33
▸ ITGA5 P08648 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ITGB5 P18084 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ SLC6A12 P48065 3/20 0.33
▸ SLC6A11 P48066 3/20 0.33
▸ SLC6A13 Q9NSD5 3/20 0.33
▸ HTT P42858 1/20 0.32
▸ KLHL20 Q9Y2M5 1/20 0.32

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
SCHEMBL30839645 0.74 SMN1; SMN2 (0.52) KLHL20
SCHEMBL15334524 0.71 KEAP1 (0.45) GAAITGB3ITGAVITGB1ITGA5
SCHEMBL9002797 0.68 ITGB3 (0.42) GAAITGB3ITGAVITGA2BITGB1
SCHEMBL9002785 0.68 ITGB3 (0.42) GAAITGB3ITGAVITGA2BITGB1
SCHEMBL1679978 0.66 ITGB3 (0.48) GAAITGB3ITGAVITGA2BITGB1
SCHEMBL14176793 0.64 — —
SCHEMBL15334516 0.64 KEAP1 (0.36) GAAITGB3ITGAVITGA2BITGB1
SCHEMBL14952755 0.64 SMN1; SMN2 (0.51) —
SCHEMBL10065460 0.63 KEAP1 (0.46) GAAITGB3ITGAVITGB1ITGA5
SCHEMBL8002679 0.62 ITGB3 (0.42) GAAITGB3ITGAVITGA2BITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 — — US disclosed
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 — — US disclosed
WO-2011060018-A2 COMPOSITIONS AND METHODS FOR USING PEPTIDES, MODIFIED PEPTIDES, PEPTIDOMIMETICS AND FIBRIN DERIVATIVES IKARIA DEVELOPMENT SUBSIDIARY TWO LLC (US) 2011-05-19 — — WO disclosed
US-7884074-B2 Compounds and methods for prevention and/or treatment of inflammation using the same Ikaria Development Subsidiary Two, LLC (US) 2011-02-08 — — US disclosed
US-20100099602-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 — — US disclosed
US-20100099602-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 — — US disclosed
WO-2010043444-A2 PHARMACEUTICAL PREPARATION FOR THE TREATMENT AND/OR PREVENTION OF ISCHEMIA/REPERFUSION INJURY AND THE SEQUELS THEREOF FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 — — WO disclosed
WO-2010043972-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 — — WO disclosed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 — — WO disclosed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 — — US disclosed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 — — US disclosed
US-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 — — US disclosed
US-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 — — US disclosed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 — — 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 (3 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-20100099602-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY HIF1AN, HIF1A, EGLN3 GAA 473/4885ITGB3 1283/4885ITGAV 2248/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR GAA 2777/4885ITGB3 1765/4885ITGAV 2698/4885
US-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NPR3, RXFP3, RXFP1 GAA 3004/4885ITGB3 2433/4885ITGAV 3544/4885

“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.

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