SCHEMBL3555994

SCHEMBL3555994

CC(C)OCCNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PAX8 Q06710 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL1543240 0.88 ALDH1A1 (0.42) EPHX2ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL8710833 0.87 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1GAAKMT2A
SCHEMBL18596695 0.84 ALDH1A1 (0.54) EPHX2ALDH1A1TSHRL3MBTL1GAA
SCHEMBL5981227 0.82 EPHX2 (0.47) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL24595703 0.80 EPHX2 (0.46) EPHX2ALDH1A1TSHRL3MBTL1GAA
SCHEMBL12437114 0.80 KMT2A (0.48) EPHX2ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL7900023 0.80 EPHX2 (0.46) EPHX2ALDH1A1TSHRL3MBTL1GAA
SCHEMBL13681684 0.80 EPHX2 (0.46) EPHX2ALDH1A1TSHRL3MBTL1GAA
SCHEMBL12783281 0.79 ACHE (0.46) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL12783279 0.78 EPHX2 (0.53) EPHX2ALDH1A1TSHRL3MBTL1GAA

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
EP-3861000-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE Genzyme Corporation (US) 2021-08-11 EP disclosed
WO-2020072504-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION (US) 2020-04-09 WO disclosed
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP EPHX2 3113/4885ALDH1A1 1036/4885CYP2D6 428/4885
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE MAN2B1, GAA, GBA1 EPHX2 1922/4885ALDH1A1 509/4885CYP2D6 1793/4885

“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.