SCHEMBL533372

SCHEMBL533372

COc1ccc2cc(CC(N)(c3cccc(N(C(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)n3)S(=O)(=O)c3cccnc3)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.34
MMP1 P03956 3/20 0.33
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CLK1 P49759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
SCD O00767 1/20 0.32
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL533439 0.91 PTGER2 (0.34) PTGER2LMNAMAPTTP53
SCHEMBL534308 0.87 KEAP1 (0.39) PTGER2MMP1MMP9MMP13LMNA
SCHEMBL533374 0.84 USP2 (0.35) PTGER2MMP1MMP9MMP13POLB
SCHEMBL533373 0.84 PTGER2 (0.51) PTGER2
SCHEMBL533799 0.81 PTGER2 (0.34) PTGER2MMP1MMP9MMP13KMT2A
SCHEMBL534324 0.81 PTGER2 (0.38) PTGER2
SCHEMBL10323313 0.80 PTGER2 (0.33) PTGER2MAPTKMT2AALDH1A1GAA
SCHEMBL10322180 0.80 PTGER2 (0.34) PTGER2MMP1MMP9MMP13
SCHEMBL534169 0.79 PTGER2 (0.40) PTGER2
SCHEMBL533712 0.79 PTGER2 (0.40) 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 PTGER2 24/4885MMP1 1273/4885MMP9 2183/4885

“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.