SCHEMBL1712911

SCHEMBL1712911

O=C(N[C@H](Cc1ccc2c(c1)Cc1ccccc1-2)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.53
MME P08473 1/20 0.53
ITGB3 P05106 12/20 0.52
ITGA2B P08514 11/20 0.52
ITGAV P06756 2/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
TACR1 P25103 2/20 0.48

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
SCHEMBL1712913 1.00 ACE (0.53) ACEMMEITGB3ITGA2BITGAV
SCHEMBL2218273 0.91 ALDH1A1 (0.53) CTSLCTSBCTSS
SCHEMBL2218264 0.91 ALDH1A1 (0.53) CTSLCTSBCTSS
SCHEMBL8250720 0.84 PTPN1 (0.49) ACEMME
SCHEMBL8445565 0.84 ECE1 (0.59) MMEITGB3ITGA2BITGAVCTSL
SCHEMBL11032508 0.83 ACE (0.60) ACEMMEITGB3ITGA2BITGAV
SCHEMBL8657006 0.83 ACE (0.60) ACEMMEITGB3ITGA2BITGAV
SCHEMBL7372270 0.80 TACR1 (0.68) MMEITGB3ITGA2BCTSLCTSB
SCHEMBL219151 0.80 TACR1 (0.68) MMEITGB3ITGA2BCTSLCTSB
SCHEMBL479010 0.80 TACR1 (0.68) MMEITGB3ITGA2BCTSLCTSB

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
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
CN-102171246-A Novel octapeptide compounds derived from somatostatin and therapeutic uses thereof IPSEN PHARMA SAS 2011-08-31 CN 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 (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-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF SSTR5, SSTR1, SSTR3 ACE 1891/4885MME 420/4885ITGB3 3808/4885

“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.