SCHEMBL4170593

SCHEMBL4170593

NC(CC(=O)O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
LTA4H P09960 3/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CYP2C19 P33261 1/20 0.41
CPA1 P15085 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4180718 0.83 PPARG (0.47) SMN1; SMN2LTA4HPPARGPPARACYP2C19
SCHEMBL4183100 0.83 RXRA (0.39) KMT2ALTA4HFFAR1
SCHEMBL4173523 0.83 PPARG (0.50) KMT2AGABBR2GABBR1LTA4HPPARG
SCHEMBL4187784 0.83 L3MBTL1 (0.47) KMT2APPARGPPARAFFAR1
SCHEMBL4187187 0.83 LDHA (0.55) KMT2ASMN1; SMN2PPARGPPARAFFAR1
SCHEMBL7538331 0.81 CYP1A2 (0.44) ALOX15LTA4HMTNR1AMTNR1BCYP2C19
SCHEMBL1538040 0.79 ALOX15 (0.48) KMT2ASMN1; SMN2ALOX15GABBR2GABBR1
SCHEMBL7531134 0.78 LTA4H (0.45) SMN1; SMN2ALOX15LTA4HPPARACYP2C19
SCHEMBL9241636 0.78 KMT2A (0.44) KMT2ASMN1; SMN2ALOX15GABBR2GABBR1
SCHEMBL9241640 0.78 KMT2A (0.44) KMT2ASMN1; SMN2ALOX15GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US claimed
EP-1951655-A2 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-08-06 EP claimed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO claimed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US disclosed
EP-1951655-A2 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-08-06 EP disclosed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
EP-0048539-A1 Isoquinolyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-03-31 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-20090227680-A1 Amino Acid Derivatives OPRL1, OPRK1, AVPR1A KMT2A 1054/4885SMN1; SMN2 1720/4885ALOX15 2473/4885

“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.