SCHEMBL217247

SCHEMBL217247

CC(C)C(=O)OCOC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 2/20 0.31
TP53 P04637 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
SCHEMBL681184 0.89 ELANE (0.34) TSHRMEN1NPC1ALDH1A1LMNA
SCHEMBL20586918 0.83 TSHR (0.36) TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL8811705 0.82 TSHR (0.32) TSHRLMNA
SCHEMBL8560408 0.81 TSHR (0.34) TSHRNPC1ALDH1A1MAPTELANE
SCHEMBL217246 0.81 ALDH1A1 (0.41) TSHRNPC1ALDH1A1MAPTELANE
SCHEMBL8560414 0.80 TSHR (0.31) TSHR
SCHEMBL8814882 0.80 TSHR (0.31) TSHR
SCHEMBL577556 0.80
SCHEMBL7606317 0.79 ALDH1A1 (0.43) TSHRMEN1ALDH1A1LMNAMAPT
SCHEMBL3404698 0.79 TSHR (0.32) TSHRMEN1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225490-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2022-01-18 US disclosed
US-10954250-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2021-03-23 US disclosed
US-20200087317-A1 Prodrugs of Secondary Amine Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-03-19 US disclosed
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
EP-2204374-B1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-1716162-B1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES INC (US) 2010-08-18 EP disclosed
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
EP-1716162-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2006-11-02 EP disclosed
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-03-02 US disclosed
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-02-09 US disclosed
US-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005066189-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2005-07-21 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 (8 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-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 TSHR 413/4885MEN1 2267/4885NPC1 2425/4885
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof HCCS, RCOR3, MSRB3 TSHR 180/4885MEN1 1361/4885NPC1 1316/4885
US-20200087317-A1 Prodrugs of Secondary Amine Compounds HNMT, MAOB, UGT1A1 TSHR 1367/4885MEN1 120/4885NPC1 220/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 TSHR 541/4885MEN1 2133/4885NPC1 2471/4885
US-10954250-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 TSHR 1367/4885MEN1 120/4885NPC1 220/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 TSHR 541/4885MEN1 2133/4885NPC1 2471/4885
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 TSHR 538/4885MEN1 2181/4885NPC1 2176/4885
US-11225490-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 TSHR 1367/4885MEN1 120/4885NPC1 220/4885

“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.