SCHEMBL4955030

SCHEMBL4955030

COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.74
NR1H4 Q96RI1 7/20 0.73
PPARA Q07869 2/20 0.73
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
BCL3 P20749 1/20 0.61
F10 P00742 1/20 0.59
PPARD Q03181 1/20 0.58
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.55

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
SCHEMBL30560465 0.87 ABCG2 (0.63) PPARGNR1H4PPARATP53MAPK1
SCHEMBL17554117 0.87 ABCG2 (0.63) PPARGNR1H4PPARATP53MAPK1
SCHEMBL24212364 0.87 PPARG (0.80) PPARGNR1H4PPARAALDH1A1KMT2A
SCHEMBL4956471 0.85 PPARG (0.60) PPARGNR1H4PPARATP53MAPK1
SCHEMBL17554044 0.85 SMN1; SMN2 (0.69) TP53MAPK1ALDH1A1GAABCL3
SCHEMBL4957518 0.84 PPARG (0.59) PPARGNR1H4PPARATP53MAPK1
SCHEMBL4952894 0.84 PPARG (0.80) PPARGNR1H4PPARATP53MAPK1
SCHEMBL28805191 0.84 ALDH1A1 (0.61) NR1H4TP53MAPK1ALDH1A1GAA
SCHEMBL2678159 0.84 NPC1 (0.77) MAPK1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL17554103 0.81 ALDH1A1 (0.72) NR1H4TP53MAPK1ALDH1A1GAA

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 11 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
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 2582/4885PPARA 3885/4885

“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.