SCHEMBL953571

SCHEMBL953571

CC(C)(C)OC(=O)CC(C)(O)C(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC7A5 Q01650 1/20 0.33
CYP2D6 P10635 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL32664843 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1MEN1GAA
SCHEMBL9545257 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1MEN1GAA
SCHEMBL6130132 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1SLC7A5CYP2D6
SCHEMBL6130129 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1SLC7A5CYP2D6
SCHEMBL5598279 0.76 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1KMT2ASLC7A5
SCHEMBL5598275 0.76 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1KMT2ASLC7A5
SCHEMBL4520914 0.72 KDM4E (0.45) MAPTPTGS1SLC7A5
SCHEMBL1236211 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC7A5HMGCR
SCHEMBL30800459 0.71 HDAC6 (0.35) CYP2D6HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28832570 0.71 DGAT1 (0.33) CYP2D6HMGCRCHRM1TBXA2RADRA1A

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
WO-2022178215-A1 AMINO AMIDE TETRAHYDRO IMIDAZO PYRIDINES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-08-25 WO disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 ALDH1A1 1179/4885MAPT 4875/4885PTGS1 172/4885

“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.