SCHEMBL533441

SCHEMBL533441

CC(C)(C)OC(=O)N(c1cccc(C(Cc2cc3ccc(Cl)cc3s2)NS(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
ITGAV P06756 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TBXAS1 P24557 3/20 0.31
TBXA2R P21731 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
SCHEMBL534227 0.92 PTGER2 (0.41) PTGER2ITGB3ITGA2BITGAVSLC1A3
SCHEMBL533374 0.92 USP2 (0.35) PTGER2ITGB3ITGA2BITGAVSLC1A3
SCHEMBL534362 0.88 PTGER2 (0.36) PTGER2ITGB3ITGA2BITGAVSLC1A3
SCHEMBL534170 0.85 PTGER2 (0.40) PTGER2ITGB3ITGAVSLC1A3SLC1A2
SCHEMBL533439 0.84 PTGER2 (0.34) PTGER2LMNATP53MAPTTRPM8
SCHEMBL533440 0.82 PTGER2 (0.52) PTGER2
SCHEMBL534320 0.81 PTGER2 (0.38) PTGER2ITGB3ITGAVSLC1A3SLC1A2
SCHEMBL533795 0.81 SLC1A3 (0.35) PTGER2ITGAVSLC1A3SLC1A2SLC1A1
SCHEMBL534592 0.81 PTGER2 (0.44) PTGER2ITGAVSLC1A3SLC1A2SLC1A1
SCHEMBL10322183 0.81 PTPRB (0.35) PTGER2ITGB3ITGAVSLC1A3SLC1A2

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 3 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

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 24/4885ITGB3 3236/4885ITGA2B 4401/4885

“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.