SCHEMBL1759172

SCHEMBL1759172

CCOC(=O)C(CCCF)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CPB2 Q96IY4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10847001 0.88 POLB (0.41) POLBCPB2ALDH1A1TSHRCYP2C9
SCHEMBL3675752 0.86 POLB (0.43) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9000615 0.85 POLB (0.42) POLB
SCHEMBL8616279 0.85 POLB (0.39) POLBCPB2ALDH1A1TSHRCYP2C9
SCHEMBL9234014 0.83 SMPD1 (0.42) POLB
SCHEMBL3674519 0.83 SMPD1 (0.42) POLB
SCHEMBL720148 0.83 POLB (0.38) POLBCPB2ALDH1A1TSHRCYP2C9
SCHEMBL1051880 0.82 POLB (0.53) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9380986 0.81 POLB (0.41) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL25277788 0.79 POLB (0.40) POLBALDH1A1TSHRCYP2C9CYP2C19

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
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
EP-2499113-A1 HOMOGLUTAMIC ACID DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2012-09-19 EP disclosed
WO-2011057986-A1 HOMOGLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 WO disclosed
WO-2011057986-A1 HOMOGLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 WO disclosed
EP-2322500-A1 Fluoro-labeled homo-glutamate derivatives and precursors thereof Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
EP-2322500-A1 Fluoro-labeled homo-glutamate derivatives and precursors thereof Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 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-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA POLB 2736/4885CPB2 655/4885ALDH1A1 2339/4885

“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.