SCHEMBL533843

SCHEMBL533843

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(NCc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.36
NTRK1 P04629 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 2/20 0.33
PORCN Q9H237 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SLC6A9 P48067 1/20 0.32
PTGER2 P43116 2/20 0.32
PPARA Q07869 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
SCHEMBL535216 0.90 PTGER2 (0.35) ADRB2NTRK1F2PORCNPTGER2
SCHEMBL3458496 0.89 ADRB2 (0.35) ADRB2NTRK1F2PORCNGPR119
SCHEMBL533488 0.88 ADRB2 (0.35) ADRB2NTRK1MEN1KMT2ATDP1
SCHEMBL533608 0.84 PTGER2 (0.35) MEN1KMT2AGPR119PTGER2
SCHEMBL12982046 0.82 PTGER2 (0.35) PTGER2
SCHEMBL533841 0.81 GPR119 (0.34) NTRK1F2GPR119SLC6A9PTGER2
SCHEMBL12982968 0.81 PTGER2 (0.40) F2PTGER2
SCHEMBL534184 0.80 PPARA (0.34) KMT2AF2PTGER2PPARA
SCHEMBL533842 0.80 PTGER2 (0.49) PTGER2
SCHEMBL533353 0.80 PTGER2 (0.43) ADRB2MEN1KMT2APTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ADRB2 25/4885NTRK1 2871/4885MEN1 4120/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ADRB2 29/4885NTRK1 2759/4885MEN1 4385/4885

“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.