SCHEMBL2729288

SCHEMBL2729288

CC(=O)ONC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL20138620 0.78 DPP4 (0.45) ALDH1A1TSHRKMT2AMEN1
SCHEMBL9849330 0.77 MGAM (0.35) TSHRKMT2AMEN1GAA
SCHEMBL28151050 0.75 TSHR (0.40) ALDH1A1TSHR
SCHEMBL21158809 0.73 NAAA (0.34) ALDH1A1KMT2AMEN1GAA
SCHEMBL103443 0.72
SCHEMBL10651547 0.72 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1GAA
SCHEMBL28451597 0.72 MLYCD (0.37) KMT2AMEN1
SCHEMBL9849332 0.72 ALDH1A1 (0.33) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL8334187 0.71
SCHEMBL1563009 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278321-B Stainless steel fiber anti-static floor paint coating and preparation method thereof 湖南惠同新材料股份有限公司 2022-02-11 CN disclosed
EP-3908571-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2021-11-17 EP disclosed
CN-113278321-A Stainless steel fiber anti-static floor paint coating and preparation method thereof 湖南惠同新材料股份有限公司 2021-08-20 CN disclosed
EP-3737665-A1 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XW Laboratories Inc. (KY) 2020-11-18 EP disclosed
WO-2020143198-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XW LABORATORIES INC. (KY) 2020-07-16 WO disclosed
WO-2019137381-A1 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XW LABORATORIES, INC. (CN) 2019-07-18 WO disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 US disclosed
WO-2012058269-A2 METHODS OF TREATING CANCER AND OTHER DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-05-03 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-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 ALDH1A1 1946/4885TSHR 2112/4885KMT2A 2197/4885

“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.