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SCHEMBL3470853

SCHEMBL3470853

CC(C)(C)OC(=O)CCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ P2RY12 Q9H244 8/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL3470855 1.00 ITGA4 (0.40) ITGA4ITGB7P2RY12MAPTTDP1
SCHEMBL13731787 1.00 ITGA4 (0.40) ITGA4ITGB7P2RY12MAPTTDP1
SCHEMBL28287518 0.94 KLK5 (0.39) ITGA4ITGB7P2RY12PPARGPPARA
SCHEMBL17929798 0.91 ADAMTS4 (0.44) ITGA4ITGB7MAPTTDP1AAK1
SCHEMBL16538739 0.91 ADAMTS4 (0.44) ITGA4ITGB7MAPTTDP1AAK1
SCHEMBL30455955 0.91 PPARA (0.43) P2RY12MMP9PPARGPPARAPPARD
SCHEMBL17929800 0.84 PSMB8 (0.39) ITGA4ITGB7P2RY12MAPTTDP1
SCHEMBL30277500 0.84 PSMB8 (0.39) ITGA4ITGB7P2RY12MAPTTDP1
SCHEMBL6740472 0.83 ITGA4 (0.43) ITGA4ITGB7MAPTTDP1AAK1
SCHEMBL6740469 0.83 ITGA4 (0.43) ITGA4ITGB7MAPTTDP1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375497-B2 [F-18]-labeled L-glutamic acid, [F-18]-labeled L-glutamine, derivatives thereof and use thereof and processes for their preparation PIRAMAL IMAGING SA (CH) 2016-06-28 — — US disclosed
US-20140301948-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-09 — — US disclosed
US-20100217011-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 — — 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 (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-20100217011-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION GLUL, GFPT1, QPCT ITGA4 4008/4885ITGB7 2931/4885P2RY12 2736/4885
US-20140301948-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION GLUL, GFPT1, QPCT ITGA4 4008/4885ITGB7 2931/4885P2RY12 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.