SCHEMBL186701

SCHEMBL186701

O=C(O)CC1NCC(C(=O)O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
ITGB2 P05107 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGAL P20701 1/20 0.40
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CAD P27708 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL186487 0.86 ITGB3 (0.38) ITGB3ITGA2BCADCYP1A2CYP2D6
SCHEMBL186846 0.84 CAD (0.35) ITGB3ITGA2BKDM4ETSHRHTT
SCHEMBL186665 0.84 CAD (0.46) CAD
SCHEMBL186077 0.83 NPSR1 (0.40) ITGB3ITGA2BCADCYP1A2CYP2D6
SCHEMBL186542 0.78 ITGB3 (0.36) ITGB3ITGA2BITGB2ITGB1ITGA5
SCHEMBL185633 0.77 GAA (0.40) ITGB3ITGA2BKDM4E
SCHEMBL10186994 0.77 ALDH1A1 (0.42) ITGB3ITGA2BKDM4E
SCHEMBL185955 0.76 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL28779150 0.76 CAD (0.33) HTTCAD
SCHEMBL186628 0.76 HDAC8 (0.49) ITGB3ITGA2BHTTCAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114844-B2 Linear and cyclic melanocortin receptor-specific peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
US-8114844-B2 Linear and cyclic melanocortin receptor-specific peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
EP-2004352-B1 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2012-01-04 EP disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
CN-101484171-A Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES INC (US) 2009-07-15 CN disclosed
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2009-03-12 US disclosed
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2009-03-12 US disclosed
WO-2007115164-A9 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2007-11-29 WO disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
WO-2007115164-A2 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES, INC. (US) 2007-10-11 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-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 ITGB3 3374/4885ITGA2B 2688/4885ITGB2 3795/4885
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs ARGLU1, ARG1, QRFPR ITGB3 3628/4885ITGA2B 2641/4885ITGB2 3804/4885
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics MC1R, MC3R, MC5R ITGB3 4141/4885ITGA2B 4370/4885ITGB2 4150/4885

“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.