SCHEMBL13269359

SCHEMBL13269359

CCCC(C(=O)OC(C)(C)C)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.34
CTSK P43235 2/20 0.33
HMGCR P04035 2/20 0.33
CTSS P25774 1/20 0.33
NOS1 P29475 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MAPT P10636 1/20 0.31
FDPS P14324 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
SCHEMBL5575508 0.86 CYP3A4 (0.38) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL908329 0.84 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19GAACTSK
SCHEMBL1051880 0.82 POLB (0.53) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL6819825 0.82 GAA (0.36) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL4807731 0.82 GAA (0.39) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL1238981 0.81 BTN3A1 (0.33) CYP3A4CYP2C9CYP2C19
SCHEMBL13641232 0.81 FDPS (0.38) POLBGAACTSKCTSSNOS1
SCHEMBL23578550 0.81 GAA (0.35) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL25801646 0.81 ALDH1A1 (0.41) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL28336011 0.80 MEN1 (0.54) POLBGAACTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 US disclosed
EP-2511271-B1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO KK (JP) 2015-01-21 EP disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 US disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-03-20 US disclosed
US-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-03-20 US disclosed
US-8609715-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2013-12-17 US disclosed
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-11-08 US disclosed
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-11-08 US disclosed
EP-2511271-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-10-17 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 (4 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-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 POLB 4531/4885CYP3A4 141/4885CYP2C9 257/4885
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 POLB 4531/4885CYP3A4 141/4885CYP2C9 257/4885
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 POLB 4531/4885CYP3A4 141/4885CYP2C9 257/4885
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 POLB 4531/4885CYP3A4 141/4885CYP2C9 257/4885

“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.