SCHEMBL804472

SCHEMBL804472

CC(C)(Oc1ccc(NC(=O)c2ccnc3ccccc23)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.50
NPC1 O15118 1/20 0.48
KDR P35968 2/20 0.48
NR2E1 Q9Y466 2/20 0.47
ACLY P53396 1/20 0.46
RAF1 P04049 1/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
KIT P10721 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RORA P35398 1/20 0.45

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
SCHEMBL804703 0.81 CYP3A4 (0.74) CYP3A4NPC1MEN1KMT2A
SCHEMBL379808 0.81 CYP3A4 (0.60) CYP3A4NR2E1ACLYDNMT1DNMT3L
SCHEMBL804704 0.81 KMT2A (0.52) CYP3A4NPC1L3MBTL1MEN1KMT2A
SCHEMBL7082250 0.80 NAMPT (0.51) CYP3A4KDRNR2E1ACLYDNMT1
SCHEMBL7784318 0.76 DNMT1 (0.65) CYP3A4KDRNR2E1ACLYDNMT1
SCHEMBL16302943 0.75 POLB (0.46) CYP3A4NPC1L3MBTL1MEN1KMT2A
SCHEMBL1304683 0.73 PPARA (0.61) CYP3A4NPC1MEN1KMT2A
SCHEMBL4601893 0.73 GRM4 (0.62) NPC1MEN1KMT2A
SCHEMBL16265333 0.72 PPARA (0.54) CYP3A4NPC1MEN1KMT2A
SCHEMBL804709 0.71 JAK2 (0.54) CYP3A4NPC1MEN1KMT2A

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 CYP3A4 390/4885NPC1 4742/4885KDR 3604/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK CYP3A4 1030/4885NPC1 4737/4885KDR 3317/4885

“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.