SCHEMBL533581

SCHEMBL533581

CC(C)(C)OC(=O)N(c1cccc(C(N)(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.33
NTRK1 P04629 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
KAT6A Q92794 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL534324 0.91 PTGER2 (0.38) PTGER2
SCHEMBL533487 0.90 GPR119 (0.33) NTRK1GPR119KAT6A
SCHEMBL533599 0.89 PTGER2 (0.42) PTGER2CA12CA1CA2CA9
SCHEMBL533712 0.89 PTGER2 (0.40) PTGER2
SCHEMBL534169 0.89 PTGER2 (0.40) PTGER2
SCHEMBL533406 0.89 ALOX5AP (0.34) PTGER2NTRK1GPR119KAT6ACA12
SCHEMBL533799 0.88 PTGER2 (0.34) PTGER2
SCHEMBL11021481 0.88 PTGER2 (0.41) PTGER2GPR119
SCHEMBL10323313 0.87 PTGER2 (0.33) PTGER2
SCHEMBL10322180 0.87 PTGER2 (0.34) 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
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 (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 24/4885NTRK1 3921/4885GPR119 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.