SCHEMBL2048150

SCHEMBL2048150

CC(C)COC(=O)OC(=O)OC(=O)OC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
SOAT1 P35610 1/20 0.48
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS1 P23219 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1616050 0.97 TSHR (0.50) TSHRSOAT1ALDH1A1TDP1MEN1
SCHEMBL25435787 0.86 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.86 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL11955193 0.85 TSHR (0.50) TSHRSOAT1ALDH1A1TDP1MEN1
SCHEMBL6551423 0.85 TSHR (0.45) TSHRSOAT1ALDH1A1TDP1MEN1
Ammonia Solution, Strong SCHEMBL9998248 0.83 TSHR (0.52) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL21146599 0.83 TSHR (0.48) TSHRSOAT1ALDH1A1TDP1MEN1
SCHEMBL5079907 0.83 TSHR (0.43) TSHRSOAT1ALDH1A1TDP1MEN1
SCHEMBL304813 0.81
SCHEMBL631747 0.81 TSHR (0.50) TSHRALDH1A1TDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 WO disclosed
US-7094404-B1 Method for treating malignancy and autoimmune disorders in humans using tac antibodies THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-22 US disclosed
US-20050207975-A1 Method for treating malignancy and autoimmune disorders in humans GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2005-09-22 US disclosed
EP-0380542-B1 METHOD FOR TREATING MALIGNANCY AND AUTOIMMUNE DISORDERS IN HUMANS US COMMERCE (US) 1996-04-24 EP disclosed
EP-0380542-A4 METHOD FOR TREATING MALIGNANCY AND AUTOIMMUNE DISORDERS IN HUMANS 1990-12-05 EP disclosed
EP-0380542-A1 METHOD FOR TREATING MALIGNANCY AND AUTOIMMUNE DISORDERS IN HUMANS. US COMMERCE (US) 1990-08-08 EP disclosed
US-4902495-A IMMUNOTOXIN FOR DETECTION OF MAST CELL ABNORMALITIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-02-20 US disclosed
WO-1989001340-A1 METHOD FOR TREATING MALIGNANCY AND AUTOIMMUNE DISORDERS IN HUMANS THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 1989-02-23 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 (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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TSHR 1016/4885SOAT1 992/4885ALDH1A1 1584/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TSHR 1016/4885SOAT1 992/4885ALDH1A1 1584/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TSHR 1016/4885SOAT1 992/4885ALDH1A1 1584/4885

“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.