SCHEMBL804704

SCHEMBL804704

CC(C)(Oc1ccc(NC(=O)c2c3ccccc3nc3ccccc23)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 1/20 0.52
PPARA Q07869 5/20 0.50
PPARG P37231 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
PPARD Q03181 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
CYP3A4 P08684 2/20 0.46
IGF1R P08069 2/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PTPN7 P35236 1/20 0.44

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
SCHEMBL804472 0.81 CYP3A4 (0.50) KMT2AMEN1L3MBTL1CYP3A4NPC1
SCHEMBL804703 0.81 CYP3A4 (0.74) KMT2AMEN1CYP2C19CYP2C9CYP3A4
SCHEMBL1304683 0.77 PPARA (0.61) KMT2AMEN1PPARAPPARGCYP2C19
SCHEMBL14976928 0.76 NPC1 (0.67) KMT2AMEN1NPC1KDM4E
SCHEMBL16265333 0.76 PPARA (0.54) KMT2AMEN1PPARAPPARGCYP2C19
SCHEMBL805971 0.75 PPARA (0.61) KMT2AMEN1PPARAPPARGCYP2C19
SCHEMBL16303954 0.75 PPARA (0.61) KMT2AMEN1PPARAPPARGCYP2C19
SCHEMBL16302943 0.73 POLB (0.46) KMT2AMEN1GAAPPARAPPARG
SCHEMBL806021 0.73 KMT2A (0.59) KMT2AMEN1PPARAPPARGCYP2C19
SCHEMBL11752834 0.73 PPARA (0.59) KMT2AMEN1GAAPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2012-03-22 US disclosed
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2012-03-22 US 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 (2 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-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS AGER, BPGM, PDXK KMT2A 1910/4885MEN1 2478/4885GAA 94/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK KMT2A 2270/4885MEN1 2627/4885GAA 107/4885

“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.