SCHEMBL6311599

SCHEMBL6311599

COC(=O)COC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL12035659 0.90 TSHR (0.55) TSHRRAB9ANPC1TDP1ALDH1A1
SCHEMBL28414452 0.83 ALDH1A1 (0.60) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL13445453 0.83 NPC1 (0.60) TSHRRAB9ANPC1LMNATDP1
SCHEMBL9505665 0.82 TDP1 (0.57) TSHRRAB9ANPC1LMNATDP1
SCHEMBL8773117 0.82 TDP1 (0.57) TSHRRAB9ANPC1LMNATDP1
SCHEMBL23754766 0.81 LMNA (0.58) TSHRRAB9ANPC1LMNATDP1
SCHEMBL2348902 0.81 LMNA (0.62) TSHRRAB9ANPC1LMNAALDH1A1
SCHEMBL3973277 0.81 LMNA (0.53) TSHRRAB9ANPC1LMNATDP1
SCHEMBL2691863 0.80 MAPK1 (0.53) TSHRRAB9ANPC1LMNATDP1
SCHEMBL20168310 0.80 TSHR (0.54) TSHRRAB9ANPC1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349624-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. 2017-12-07 US disclosed
US-20170349624-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. 2017-12-07 US disclosed
US-9745338-B2 Pro-drug forming compounds EVESTRA, INC. (US) 2017-08-29 US disclosed
US-9745338-B2 Pro-drug forming compounds EVESTRA, INC. (US) 2017-08-29 US disclosed
WO-2015006691-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. (US) 2015-01-15 WO disclosed
CN-1633434-A Imidazo [1, 2-a ] pyridine derivatives DAIICHI SEIYAKU CO (JP) 2005-06-29 CN disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
WO-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed
EP-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP 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-20170349624-A1 PRO-DRUG FORMING COMPOUNDS SUCNR1, FURIN, PROKR2 TSHR 628/4885RAB9A 563/4885NPC1 2114/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 TSHR 4471/4885RAB9A 2347/4885NPC1 901/4885

“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.