SCHEMBL4746286

SCHEMBL4746286

CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL5126306 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1534083 0.80 MEN1 (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1901800 0.73 MEN1 (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1094742 0.71 MEN1 (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4499510 0.69 LMNA (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4936795 0.69 MEN1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1743472 0.69 ADORA1 (0.38) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL16839605 0.68 EGLN1 (0.53) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4492303 0.68 LMNA (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3992432 0.68 ADORA1 (0.37) MEN1KMT2AALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MEN1 4539/4885KMT2A 1646/4885ALDH1A1 815/4885

“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.