SCHEMBL12877993

SCHEMBL12877993

CC(CC[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)NC(=N)N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 20/20 0.55
ITGB5 P18084 6/20 0.55
ITGA2B P08514 3/20 0.55
ITGB6 P18564 2/20 0.55
ITGA5 P08648 12/20 0.48
ITGB1 P05556 10/20 0.48
ITGB8 P26012 1/20 0.46

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
SCHEMBL12016720 0.93 ITGB3 (0.46) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL451423 0.88 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL22594705 0.88 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL16920496 0.88 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL451422 0.87 ITGB3 (0.52) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL19534260 0.84 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL34082 0.84 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL26970603 0.84 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL29403053 0.83 ITGB3 (0.77) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL16923811 0.82 ITGB3 (0.52) ITGB3ITGAVITGB5ITGA2BITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-9051292-B2 Sultone compound derivatives substituted by nucleophiles, in particular radionuclides, and use thereof for marking macromolecules ADVANCED ACCELERATOR APPLICATIONS (FR) 2015-06-09 US disclosed
WO-2011018467-A1 SULTONE COMPOUND DERIVATIVES SUBSTITUTED BY NUCLEOPHILES, IN PARTICULAR RADIONUCLIDES, AND USE THEREOF FOR MARKING MACROMOLECULES ADVANCED ACCELERATOR APPLICATIONS (FR) 2011-02-17 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 (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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 ITGB3 3132/4885ITGAV 2306/4885ITGB5 2736/4885

“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.