SCHEMBL533374

SCHEMBL533374

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.35
USP8 P40818 3/20 0.35
PTGER2 P43116 2/20 0.34
F2 P00734 4/20 0.34
PRSS1 P07477 4/20 0.34
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
PIK3CG P48736 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGAV P06756 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
SCD O00767 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL533441 0.92 PTGER2 (0.34) PTGER2ITGB3ITGA2BITGAVSLC1A3
SCHEMBL534227 0.91 PTGER2 (0.41) USP2USP8PTGER2F2ITGB3
SCHEMBL534310 0.88 KEAP1 (0.36) USP2USP8PTGER2F2PRSS1
SCHEMBL533372 0.84 PTGER2 (0.34) USP2USP8PTGER2MEN1POLB
SCHEMBL533373 0.82 PTGER2 (0.51) PTGER2
SCHEMBL534320 0.81 PTGER2 (0.38) PTGER2ITGB3ITGAVSLC1A3SLC1A2
SCHEMBL533795 0.81 SLC1A3 (0.35) PTGER2KMT2AITGAVSLC1A3SLC1A2
SCHEMBL534592 0.81 PTGER2 (0.44) PTGER2F2ITGAVSLC1A3SLC1A2
SCHEMBL10322183 0.80 PTPRB (0.35) PTGER2F2ITGB3ITGAVSLC1A3
Hydrochloric Acid SCHEMBL533847 0.80 PTGER2 (0.49) USP2USP8PTGER2PIK3CG

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 USP2 3874/4885USP8 4149/4885PTGER2 24/4885

“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.