SCHEMBL533715

SCHEMBL533715

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.33
PTGER2 P43116 2/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL533518 0.85 SLC1A3 (0.37) PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL533527 0.83 PTGER2 (0.32) MMP13PTGER2SLC7A5
SCHEMBL3459216 0.82 PTGER2 (0.34) MMP13PTGER2
SCHEMBL533716 0.80 KMT2A (0.39) MMP13PTGER2
SCHEMBL533780 0.77 PTGER2 (0.35) PTGER2
SCHEMBL533488 0.76 ADRB2 (0.35) MMP13
SCHEMBL533714 0.74 PTGER2 (0.40) MMP13PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL11024456 0.74 GRM5 (0.35) SLC7A5
SCHEMBL533487 0.73 GPR119 (0.33)
SCHEMBL533778 0.73 CA12 (0.36) 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 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 MMP13 843/4885PTGER2 24/4885SLC1A3 655/4885

“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.