Sugi Predict

Sugi Predict / Compounds / SCHEMBL10058596

SCHEMBL10058596

SCHEMBL10058596

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 8/20 0.61
▸ NTSR2 O95665 4/20 0.61
▸ OPRD1 P41143 3/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ SORT1 Q99523 2/20 0.60
▸ REN P00797 2/20 0.57
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56

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
SCHEMBL10305287 0.93 OPRD1 (0.63) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL13315233 0.92 OPRD1 (0.56) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL12801534 0.89 NPY1R (0.63) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL10305352 0.89 NTSR1 (0.65) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL10305342 0.89 NTSR1 (0.61) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL12801453 0.88 NPY1R (0.58) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL13315205 0.86 NPY1R (0.56) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL16158087 0.85 OPRD1 (0.56) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL1421754 0.85 NTSR1 (0.74) NTSR1NTSR2OPRD1OPRM1OPRK1
SCHEMBL1421733 0.85 NTSR1 (0.74) NTSR1NTSR2OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948185-B1 VECTORISED MAGNETIC EMULSION GUERBET SA (FR) 2018-03-07 — — EP disclosed
EP-2654802-B1 CHELATE NANOEMULSION FOR MRI GUERBET SA (FR) 2017-12-06 — — EP disclosed
US-9770520-B2 Chelate nanoemulsion for MRI GUERBET (FR) 2017-09-26 — — US disclosed
US-20150320889-A1 Vectorised Magnetic Emulsion GUERBET (FR) 2015-11-12 — — US disclosed
EP-2474553-A2 Compounds for diagnosing apoptosis GUERBET (FR) 2012-07-11 — — EP disclosed
WO-2012084981-A1 CHELATE NANOEMULSION FOR MRI GUERBET (FR) 2012-06-28 — — WO disclosed
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 — — US disclosed
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 — — US disclosed
WO-2008125420-A2 COMPOUNDS FOR DIAGNOSING APOPTOSIS GUERBET (FR) 2008-10-23 — — WO disclosed
US-20070292354-A1 Contrast Agents Encapsulating Systems for Cest Imaging GUERBET (FR) 2007-12-20 — — US disclosed
US-20070292354-A1 Contrast Agents Encapsulating Systems for Cest Imaging GUERBET (FR) 2007-12-20 — — 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 (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-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS TPX2, VIP, BAX NTSR1 3787/4885NTSR2 3784/4885OPRD1 3632/4885
US-20070292354-A1 Contrast Agents Encapsulating Systems for Cest Imaging SLC46A1, CEPT1, MPST NTSR1 2168/4885NTSR2 2198/4885OPRD1 4412/4885
US-20150320889-A1 Vectorised Magnetic Emulsion SGMS2, TFRC, SGMS1 NTSR1 548/4885NTSR2 168/4885OPRD1 1199/4885

“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.