Sugi Predict

Sugi Predict / Compounds / SCHEMBL1127348

SCHEMBL1127348

SCHEMBL1127348

C[C@@H](CCCCCCF)C[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSK P43235 10/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CTSS P25774 3/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL1127369 0.94 CA1 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL1127639 0.86 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL1127498 0.84 TDP1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL12523040 0.79 CA2 (0.47) CA1CA2CA7CTSKCYP2D6
SCHEMBL18196102 0.79 CA2 (0.47) CA1CA2CA7CTSKCYP2D6
SCHEMBL22404435 0.77 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL16569009 0.77 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL10431195 0.76 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL3470621 0.76 CA1 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL31362915 0.75 CA1 (0.47) CA1CA2CA7CTSKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 — — US disclosed
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 — — US disclosed
EP-2282981-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-16 — — EP disclosed
WO-2009141090-A9 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-25 — — WO disclosed
WO-2009141090-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 — — 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 (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-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them GLUL, GATD3, QPCT CA1 231/4885CA2 981/4885CA7 1117/4885
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM GLUL, GATD3, QPCT CA1 203/4885CA2 905/4885CA7 862/4885

“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.