SCHEMBL16244682

SCHEMBL16244682

CCOC(=O)C(NC(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MIF P14174 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL15962588 0.88 CTSS (0.49) CTSSCTSKMIFCA1CA2
SCHEMBL2928886 0.88 ALDH1A1 (0.57) CTSSCTSKHTTCYP1A2CYP2C9
SCHEMBL10240502 0.87 CTSK (0.62) CTSSCTSKHTTCYP1A2CYP2C9
SCHEMBL27833801 0.87 CTSK (0.62) CTSSCTSKHTTCYP1A2CYP2C9
SCHEMBL1554126 0.87 CTSS (0.48) CTSSCTSKMAPTMIFESR1
SCHEMBL1554122 0.87 CTSS (0.48) CTSSCTSKMAPTMIFESR1
SCHEMBL2582580 0.87 CTSS (0.48) CTSSCTSKMAPTMIFESR1
SCHEMBL11638205 0.87 CTSK (0.47) CTSSCTSKCYP1A2CYP2C19SMN1; SMN2
SCHEMBL1931651 0.86 CTSK (0.49) CTSSCTSKHTTCYP1A2CYP2C9
SCHEMBL5814774 0.85 CTSS (0.47) CTSSCTSKHTTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940928-B2 Method of synthesizing levorotatory p-hydroxyphenylglycine compounds Henan Newland Pharmaceutical Co., Ltd. (CN) 2015-01-27 US disclosed
US-8940928-B2 Method of synthesizing levorotatory p-hydroxyphenylglycine compounds Henan Newland Pharmaceutical Co., Ltd. (CN) 2015-01-27 US disclosed
US-8940928-B2 Method of synthesizing levorotatory p-hydroxyphenylglycine compounds Henan Newland Pharmaceutical Co., Ltd. (CN) 2015-01-27 US disclosed
US-20140350295-A1 METHOD OF SYNTHESIZING LEVOROTATORY P-HYDROXYPHENYLGLYCINE COMPOUNDS NEWLAND PHARMACEUTICAL CO., LTD. (CN) 2014-11-27 US disclosed
US-20140350295-A1 METHOD OF SYNTHESIZING LEVOROTATORY P-HYDROXYPHENYLGLYCINE COMPOUNDS NEWLAND PHARMACEUTICAL CO., LTD. (CN) 2014-11-27 US disclosed
US-20140350295-A1 METHOD OF SYNTHESIZING LEVOROTATORY P-HYDROXYPHENYLGLYCINE COMPOUNDS NEWLAND PHARMACEUTICAL CO., LTD. (CN) 2014-11-27 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 (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-20140350295-A1 METHOD OF SYNTHESIZING LEVOROTATORY P-HYDROXYPHENYLGLYCINE COMPOUNDS COMT, HPD, PAH CTSS 2162/4885CTSK 2772/4885HTT 345/4885

“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.