SCHEMBL534466

SCHEMBL534466

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(Br)cc2)NS(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.34
PTGER2 P43116 4/20 0.33
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
XBP1 P17861 2/20 0.32
JAK2 O60674 1/20 0.32
S1PR4 O95977 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
CTSS P25774 2/20 0.31
MEN1 O00255 2/20 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
SCHEMBL533315 0.93 PTPRB (0.38) PTPRBPTGER2CTSSCTSK
SCHEMBL10320468 0.92 PTPRB (0.38) PTPRBPTGER2MMP13ALDH1A1LMNA
SCHEMBL533502 0.88 PTGER2 (0.33) PTPRBPTGER2MMP13
SCHEMBL533628 0.87 PTPRB (0.37) PTPRBPTGER2MMP2MMP13MMP9
SCHEMBL535157 0.87 PTPRB (0.36) PTPRBPTGER2MMP13
SCHEMBL10323124 0.87 PPARG (0.35) PTPRBPTGER2MMP13LMNACTSS
SCHEMBL534497 0.87 PTPRB (0.37) PTPRBPTGER2MMP2MMP13MMP9
SCHEMBL533795 0.87 SLC1A3 (0.35) PTPRBPTGER2MMP2MMP13MMP1
SCHEMBL533682 0.86 PTGER2 (0.36) PTPRBPTGER2ALDH1A1LMNAHPGD
SCHEMBL13571193 0.84 MMP13 (0.30) PTPRBMMP13

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 5 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
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
EP-2476668-A1 ANILINE COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (2 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-20120184747-A1 ANILINE COMPOUND PTGER2, ADRB2, PTGER1 PTPRB 4397/4885PTGER2 1/4885MMP2 1447/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 PTPRB 4696/4885PTGER2 24/4885MMP2 1315/4885

“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.