SCHEMBL4694043

SCHEMBL4694043

CCOC(=O)CCN(Cc1ccc(F)cc1)C(=O)CC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
CETP P11597 2/20 0.43
KCNQ4 P56696 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE6D O43924 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL2224578 0.86 SMN1; SMN2 (0.54) SMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL2226376 0.81 SMN1; SMN2 (0.51) SMN1; SMN2POLBTDP1ALDH1A1L3MBTL1
SCHEMBL6860586 0.81 SMN1; SMN2 (0.54) SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL14007558 0.79 OPRM1 (0.41) POLBAPEX1TDP1YAP1TEAD4
SCHEMBL14129782 0.77 RIPK1 (0.43) SMN1; SMN2POLBALDH1A1
SCHEMBL5871481 0.75 CYP4F2 (0.58) TDP1CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL20347975 0.75 REN (0.58) SMN1; SMN2ALDH1A1
SCHEMBL1936446 0.75 CYP4F2 (0.72) TDP1CYP4F2CYP4A11ALDH1A1CYP4Z1
SCHEMBL9685398 0.74 GAA (0.52) SMN1; SMN2POLBCYP4F2CYP4A11ALDH1A1
SCHEMBL6330958 0.74 CYP4Z1 (0.59) TDP1CYP4F2CYP4A11ALDH1A1CYP4Z1

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-20120220571-A1 HIV INTEGRASE INHIBITORS WAI JOHN S (US) 2012-08-30 US disclosed
US-20120220571-A1 HIV INTEGRASE INHIBITORS WAI JOHN S (US) 2012-08-30 US disclosed
US-20120220571-A1 HIV INTEGRASE INHIBITORS WAI JOHN S (US) 2012-08-30 US disclosed
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP SMN1; SMN2 3773/4885POLB 20/4885APEX1 1250/4885
US-20120220571-A1 HIV INTEGRASE INHIBITORS POLR2E, POLR2H, POLR1A SMN1; SMN2 3600/4885POLB 8/4885APEX1 1376/4885

“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.