SCHEMBL4025879

SCHEMBL4025879

CC(C)(C)OC(=O)NNCc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CACNA1B Q00975 1/20 0.44
CYP2C9 P11712 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.43
ESRRG P62508 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD2 P14416 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
SCHEMBL6445761 0.87 ESRRG (0.55) GAACA12CA1CA7CA14
SCHEMBL9971059 0.86 GAA (0.51) GAAMEN1KMT2ACACNA1BSMN1; SMN2
SCHEMBL6236607 0.86 GAA (0.51) GAAMEN1KMT2ACYP2C19PPARG
SCHEMBL8203874 0.85 RAB9A (0.56) GAAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1668799 0.84 GAA (0.50) GAAMEN1KMT2ASMN1; SMN2CA12
SCHEMBL13903558 0.84 ESRRG (0.60) GAAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL6347286 0.84 GAA (0.72) GAAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4632779 0.84 CA12 (0.60) GAAMEN1KMT2ACYP1A2PPARG
SCHEMBL13903494 0.84 TSHR (0.57) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11995626 0.84 GAA (0.51) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513811-B1 NON-PEPTIDIC BRS-3 AGONISTS SOLVAY PHARM GMBH (DE) 2009-04-08 EP disclosed
US-7244743-B2 Non-peptidic BRS-3 agonists SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-17 US disclosed
US-20050171146-A1 Non-peptidic BRS-3 agonists SOLVAY PHARMACEUTICALS GMBH (DE) 2005-08-04 US disclosed
EP-1513811-A1 NON-PEPTIDIC BRS-3 AGONISTS Solvay Pharmaceuticals GmbH (DE) 2005-03-16 EP disclosed
WO-2003104196-A1 NON-PEPTIDIC BRS-3 AGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2003-12-18 WO disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5631376-A PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
US-5621109-A OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1997-04-15 US disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 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-20050171146-A1 Non-peptidic BRS-3 agonists BRS3, NPR3, ADRB3 GAA 4589/4885MEN1 738/4885KMT2A 4148/4885

“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.