SCHEMBL533640

SCHEMBL533640

CC(C)(C)OC(=O)N(c1cccc(C(NCc2ccc(-n3cncn3)cc2)S(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 9/20 0.43
PTGER4 P35408 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
NAMPT P43490 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL533697 0.88 PTGER2 (0.46) PTGER2PTGER4GPR119NAMPT
SCHEMBL533583 0.83 NTRK1 (0.34) PTGER2GPR119NAMPT
SCHEMBL533638 0.83 PTGER2 (0.43) PTGER2PTGER4GPR119
SCHEMBL533780 0.82 PTGER2 (0.35) PTGER2PTGER4GPR119NAMPT
SCHEMBL533639 0.81 PTGER2 (0.63) PTGER2PTGER4
SCHEMBL13571649 0.80 PTGER2 (0.37) PTGER2
SCHEMBL10316611 0.79 PTGER2 (0.45) PTGER2PTGER4GPR119NAMPT
SCHEMBL534264 0.78 PTGER2 (0.64) PTGER2PTGER4
SCHEMBL533289 0.77 PTGER2 (0.43) PTGER2PTGER4GPR119NAMPT
SCHEMBL533518 0.77 SLC1A3 (0.37) PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 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 (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-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 PTGER2 24/4885PTGER4 133/4885GPR119 1168/4885

“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.