SCHEMBL4955565

SCHEMBL4955565

O=C(O)CCCCCNC(=O)c1ccccc1NC(=O)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.66
NR1H4 Q96RI1 6/20 0.66
NAAA Q02083 1/20 0.59
PPARA Q07869 2/20 0.59
NPC1 O15118 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NLRP1 Q9C000 1/20 0.56
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ALOX5 P09917 1/20 0.54
MAPK1 P28482 1/20 0.51

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
SCHEMBL4954366 1.00 PPARG (0.66) PPARGNR1H4NAAAPPARANPC1
SCHEMBL4954313 0.99 PPARG (0.67) PPARGNR1H4NAAAPPARANPC1
SCHEMBL4955789 0.95 PPARG (0.73) PPARGNR1H4NAAAPPARANPC1
SCHEMBL14088979 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
SCHEMBL13593340 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
SCHEMBL6383063 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
SCHEMBL2331916 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
SCHEMBL664024 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
Salcaprozic Acid SCHEMBL4586235 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT
SCHEMBL14088978 0.91 NAAA (0.70) PPARGNR1H4NAAANPC1HTT

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
CN-100475776-C Amino acid diamides in non alpha position useful as adjuvants for the administration of active biological agents ROVI LAB FARMACEUT SA (ES) 2009-04-08 CN disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
EP-1652836-B1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS ROVI LAB FARMACEUT SA (ES) 2007-07-18 EP disclosed
CN-1829682-A Amino acid diamides in non-alpha positions useful as adjuvants for the administration of biologically active agents ROVI LAB FARMACEUT SA (ES) 2006-09-06 CN disclosed
EP-1652836-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2006-05-03 EP 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-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS NOS1, NOS3, ARG1 PPARG 3783/4885NR1H4 2582/4885NAAA 1740/4885

“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.