SCHEMBL6905899

SCHEMBL6905899

CCC(CC(=O)OC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TNF P01375 1/20 0.44
RECQL P46063 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL6903550 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL7688672 0.88 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8125876 0.85 POLB (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL6903558 0.85 POLB (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL7349213 0.85 POLB (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL6903563 0.85 POLB (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL31163362 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL665345 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8297473 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10265619 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100471832-C Process to produce a protease inhibitor PHARMACIA & UPJOHN CO LLC (US) 2009-03-25 CN claimed
CN-1990452-A Process to produce a protease inhibitor UPJOHN CO (US) 2007-07-04 CN claimed
CN-1511820-A Novel intemediate for preparing 4-hydroxy-2-oxygen-pyran derivatives as protease inhibitor �������Ŷ���Լ��������˾ 2004-07-14 CN claimed
EP-1015441-B1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS UPJOHN CO (US) 2004-05-12 EP claimed
CN-1268947-A Novel process for preparing 4-hydroxy-2-oxo-pyran derivatives as protease inhibitors UPJOHN CO (US) 2000-10-04 CN claimed
EP-1015441-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-05 EP claimed
WO-1999012919-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-18 WO claimed
US-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR PROTIA, LLC (US) 2009-03-05 US disclosed
EP-1015441-B1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS UPJOHN CO (US) 2004-05-12 EP disclosed
US-6265604-B1 AS PROTEASE INHIBITOR USEFUL IN TREATING HUMANS INFECTED WITH THE HIV VIRUS PHARMACIA & UPJOHN COMPANY 2001-07-24 US disclosed
EP-1015441-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-05 EP disclosed
US-6077963-A Process to produce a protease inhibitor PHARMACIA & UPJOHN COMPANY (US) 2000-06-20 US disclosed
WO-1999012919-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-18 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-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR SAMHD1, NSD3, NSD1 MEN1 3966/4885KMT2A 1215/4885ALDH1A1 3071/4885

“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.