SCHEMBL1712972

SCHEMBL1712972

COCCOCCOc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.63
ITGA2B P08514 2/20 0.63
ACACB O00763 3/20 0.52
SLC7A5 Q01650 2/20 0.50
PTPN1 P18031 1/20 0.50
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
TPH1 P17752 2/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 5/20 0.46
LDHA P00338 1/20 0.45
PTPRC P08575 1/20 0.45

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
SCHEMBL18244721 1.00 ITGB3 (0.63) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL1712530 1.00 ITGB3 (0.63) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL16163350 0.96 ITGB3 (0.68) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL21095635 0.95 ITGB3 (0.57) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL21556940 0.89 ITGB3 (0.70) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL27654977 0.88 ITGB3 (0.77) ITGB3ITGA2BSLC7A5PTPN1ALPI
SCHEMBL27268099 0.88 ACACB (0.54) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL31329374 0.86 ITGB3 (0.60) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL8953657 0.84 ACACB (0.50) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL7512809 0.84 ACACB (0.50) ITGB3ITGA2BACACBPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344529-B1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA SAS (FR) 2013-06-05 EP claimed
EP-2168983-A1 New octapeptide compounds and their therapeutic use IPSEN PHARMA (FR) 2010-03-31 EP claimed
US-20230295190-A1 Borylated amino acid compositions for use in boron neutron capture therapy and methods thereof TAE LIFE SCIENCES LLC 2023-09-21 US disclosed
US-9382306-B2 Octapeptide compounds derived from somatostatin and the therapeutic use thereof IPSEN PHARMA S.A.S. (FR) 2016-07-05 US disclosed
EP-2344529-B1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA SAS (FR) 2013-06-05 EP disclosed
US-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-21 US disclosed
EP-2344529-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-20 EP disclosed
WO-2010037930-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2010-04-08 WO disclosed
EP-2168983-A1 New octapeptide compounds and their therapeutic use IPSEN PHARMA (FR) 2010-03-31 EP 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-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF SSTR5, SSTR1, SSTR3 ITGB3 3808/4885ITGA2B 4377/4885ACACB 4724/4885
US-20230295190-A1 Borylated amino acid compositions for use in boron neutron capture therapy and methods thereof BCAT2, BCAT1, SLC1A5 ITGB3 2886/4885ITGA2B 1758/4885ACACB 3398/4885

“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.