SCHEMBL4127627

SCHEMBL4127627

NC(=O)N(Cc1cc(F)cc(F)c1)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
EPHX1 P07099 1/20 0.33
IDO1 P14902 2/20 0.32
NTRK1 P04629 1/20 0.32
METAP2 P50579 2/20 0.32
NR3C1 P04150 1/20 0.32
SLC9A1 P19634 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEP1B Q16820 1/20 0.31
BMP1 P13497 1/20 0.31

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
SCHEMBL13903488 0.73 IDO1 (0.38) MAPK8CLK1CLK2DYRK1AEPHX1
SCHEMBL4116291 0.69 BMP1 (0.38) MAPK8MEN1KMT2ACLK1CLK2
SCHEMBL30481859 0.68 IDO1 (0.36) MAPK8CLK1CLK2DYRK1AEPHX1
Formic Acid SCHEMBL28749409 0.68 ERN1 (0.34) MAPK8CLK1CLK2DYRK1AEPHX1
SCHEMBL11221924 0.67 NPC1 (0.46) MEN1KMT2A
SCHEMBL19949104 0.66 KMT2A (0.45) MEN1KMT2ACLK1CLK2DYRK1A
SCHEMBL3563691 0.65 METAP2 (0.47) MEN1KMT2AAURKAMETAP2CES2
Hydrochloric Acid SCHEMBL7995976 0.65 AOC3 (0.40) MEN1KMT2ACLK1CLK2DYRK1A
SCHEMBL1115062 0.64 CA2 (0.46) MAPK8MEN1KMT2AEPHX1IDO1
SCHEMBL23385216 0.63 CYP2C9 (0.50) MAPK8AURKARPS6KB1AURKBIDO1

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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD MAPK8 2768/4885MEN1 4880/4885KMT2A 3230/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD MAPK8 3168/4885MEN1 4873/4885KMT2A 3695/4885

“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.