SCHEMBL15420995

SCHEMBL15420995

CC(=O)OC[C@H]1OCC=C[C@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.48
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
CYP2C19 P33261 6/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2D6 P10635 4/20 0.45
THRB P10828 3/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL9564690 1.00 CYP3A4 (0.48) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL9593444 1.00 CYP3A4 (0.48) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL7743372 1.00 CYP3A4 (0.48) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL14568421 0.85 CYP3A4 (0.46) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL6512353 0.77 CYP3A4 (0.52) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL6512348 0.77 CYP3A4 (0.52) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL25246184 0.75 NLRP3 (0.61) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL13895495 0.75 CA12 (0.33) TSHRCA12CA1CA2CA9
SCHEMBL13163828 0.73 CYP3A4 (0.59) CYP3A4MAPTALDH1A1CYP2C19TSHR
SCHEMBL16379575 0.73 CYP3A4 (0.49) CYP3A4MAPTALDH1A1CYP2C19TSHR

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-20240026075-A1 POLYMERISATION PROCESSES THE UNIVERSITY OF BATH (GB) 2024-01-25 US disclosed
US-11191273-B2 Methods of making pyranopyrans such as pyranopyran nitrile and methods of using pyranopyrans such as pyranopyran nitrile THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-12-07 US disclosed
US-20200093132-A1 Methods Of Making Pyranopyrans Such As Pyranopyran Nitrile And Methods of Using Pyranopyrans Such As Pyranopyran Nitrile VILLANOVA UNIVERSITY 2020-03-26 US disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (3 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-20200093132-A1 Methods Of Making Pyranopyrans Such As Pyranopyran Nitrile And Methods of Using Pyranopyrans Such As Pyranopyran Nitrile CBR1, NOX1, NOX3 CYP3A4 92/4885MAPT 4150/4885ALDH1A1 419/4885
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CYP3A4 2222/4885MAPT 175/4885ALDH1A1 143/4885
US-11191273-B2 Methods of making pyranopyrans such as pyranopyran nitrile and methods of using pyranopyrans such as pyranopyran nitrile CBR1, NOX1, NOX3 CYP3A4 92/4885MAPT 4150/4885ALDH1A1 419/4885

“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.