SCHEMBL3044964

SCHEMBL3044964

CC(C)[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.NCC(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SLC7A5 Q01650 3/20 0.36
PTPN1 P18031 1/20 0.35
DPP4 P27487 2/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CTSC P53634 2/20 0.33
F2 P00734 1/20 0.33
PTGS1 P23219 2/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
XIAP P98170 1/20 0.33
TPH1 P17752 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 3/20 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
Glycine SCHEMBL4612307 0.98 ITGB3 (0.36) ITGB3ITGA2BSLC7A5PTPN1DPP4
SCHEMBL3100802 0.87 ITGB3 (0.38) ITGB3ITGA2BSLC7A5PTPN1DPP4
SCHEMBL5576438 0.83 SLC7A5 (0.41) ITGB3ITGA2BSLC7A5PTPN1DPP4
SCHEMBL4542258 0.82 PTPN1 (0.45) ITGB3ITGA2BSLC7A5PTPN1DPP4
Asparagine SCHEMBL10380760 0.82 REN (0.34) ITGB3ITGA2BSLC7A5PTPN1DPP4
SCHEMBL1675509 0.82 SLC7A5 (0.44) ITGB3ITGA2BSLC7A5PTPN1DPP4
Proline SCHEMBL17728310 0.81 PTPN1 (0.43) ITGB3ITGA2BSLC7A5PTPN1DPP4
Asparagine SCHEMBL10379803 0.81 REN (0.33) ITGB3ITGA2B
Threonine SCHEMBL17728293 0.80 SLC7A5 (0.37) ITGB3ITGA2BSLC7A5PTPN1DPP4
Serine SCHEMBL8169168 0.79 NPY4R (0.32) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064010-A4 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME CONNECTIVE TISSUE IMAGINEERING (US) 2004-10-06 EP claimed
EP-1064010-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME Mrs, Llc (US) 2001-01-03 EP claimed
WO-1999045941-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME MRS, LLC (US) 1999-09-16 WO claimed
US-7666842-B2 Elastin peptide analogs and uses thereof Connective Tissue Imagineering, LLC (US) 2010-02-23 US disclosed
US-20050059599-A1 Elastin peptide analogs and uses thereof CONNECTIVE TISSUE IMAGINEERING LLC. 2005-03-17 US disclosed
US-6777389-B1 INHIBITING CUTANEOUS EFFECTS OF AGING CONNECTIVE TISSUE IMAGINEERING LLC 2004-08-17 US disclosed
US-6069129-A COMPOSITION FOR TREATING MAMMALIAN TISSUE COMPRISING PEPTIDE(S) OF GIVEN SEQUENCES; APPLYING TO HUMAN SKIN IN A COSMETIC OR THERAPEUTIC FORMULATION RESULTING IN ENHANCED ELASTICITY OF THE SKIN MRS, LLC (US) 2000-05-30 US 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 (1 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-20050059599-A1 Elastin peptide analogs and uses thereof ELANE, CUTA, ENPEP ITGB3 3496/4885ITGA2B 3971/4885SLC7A5 2652/4885

“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.