SCHEMBL2373406

SCHEMBL2373406

CC=Cc1c(C)ccc(C(=O)N(CC)CC)c1OCOC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 3/20 0.31
HSP90AB1 P08238 3/20 0.31
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
KEAP1 Q14145 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL15007570 1.00 PTPN1 (0.35) PTPN1HPGDTSHRMAPK1MEN1
SCHEMBL15008198 0.79 LMNA (0.32) PTPN1HPGDTSHRMEN1LMNA
SCHEMBL15008197 0.79 LMNA (0.32) PTPN1HPGDTSHRMEN1LMNA
SCHEMBL15007612 0.79 HPGD (0.41) HPGDTSHRMAPK1MEN1LMNA
SCHEMBL2436852 0.79 HPGD (0.41) HPGDTSHRMAPK1MEN1LMNA
SCHEMBL16994189 0.79 HPGD (0.41) HPGDTSHRMAPK1MEN1LMNA
SCHEMBL6644892 0.71 HPGD (0.42) HPGDTSHRMAPK1MEN1LMNA
SCHEMBL17876999 0.70 HPGD (0.43) HPGDTSHRMAPK1MEN1LMNA
SCHEMBL6644005 0.66 KEAP1 (0.43) PTPN1HPGDTSHRMAPK1MEN1
SCHEMBL15563349 0.66 KEAP1 (0.40) PTPN1HPGDTSHRMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP disclosed
US-9611287-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US disclosed
US-20160355537-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-08 US disclosed
US-9102697-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-11 US disclosed
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-06-13 US disclosed
EP-2550285-A1 TRIOXACARCINS AND USES THEREOF President and Fellows of Harvard College (US) 2013-01-30 EP disclosed
WO-2011119549-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-29 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 (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-20160355537-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, PCSK6 PTPN1 1550/4885HPGD 2890/4885TSHR 1167/4885
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 PTPN1 1577/4885HPGD 2873/4885TSHR 1023/4885

“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.