SCHEMBL6903558

SCHEMBL6903558

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACP3 P15309 1/20 0.49
FFAR1 O14842 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP26A1 O43174 1/20 0.47
TP53 P04637 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KMO O15229 1/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7349213 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL6903563 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL8125876 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL16933041 0.91 ACP3 (0.54) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL10876371 0.85 FFAR1 (0.49) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL6905899 0.85 MEN1 (0.50) L3MBTL1HTTSMN1; SMN2FFAR1MEN1
SCHEMBL6903550 0.85 MEN1 (0.50) L3MBTL1HTTSMN1; SMN2FFAR1MEN1
SCHEMBL3060638 0.84 L3MBTL1 (0.51) L3MBTL1HTTSMN1; SMN2ACP3MEN1
SCHEMBL7267166 0.83 FNTA (0.47) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL21200270 0.82 MEN1 (0.57) POLBL3MBTL1HTTSMN1; SMN2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-100471832-C Process to produce a protease inhibitor PHARMACIA & UPJOHN CO LLC (US) 2009-03-25 CN disclosed
US-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR PROTIA, LLC (US) 2009-03-05 US disclosed
CN-1990452-A Process to produce a protease inhibitor UPJOHN CO (US) 2007-07-04 CN disclosed
CN-1298714-C Novel process for preparing 4-hydroxy-2-oxo-pyran derivatives as protease inhibitors UPJOHN CO (US) 2007-02-07 CN disclosed
CN-1284763-C Novel intemediate for preparing 4-hydroxy-2-oxygen-pyran derivatives as protease inhibitor PHARMACIA & UPJOHN CO LLC (US) 2006-11-15 CN disclosed
CN-1511820-A Novel intemediate for preparing 4-hydroxy-2-oxygen-pyran derivatives as protease inhibitor �������Ŷ���Լ��������˾ 2004-07-14 CN disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
CN-1268947-A Novel process for preparing 4-hydroxy-2-oxo-pyran derivatives as protease inhibitors UPJOHN CO (US) 2000-10-04 CN 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
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
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 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 POLB 397/4885L3MBTL1 3075/4885HTT 194/4885

“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.