SCHEMBL533795

SCHEMBL533795

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(Br)cc2)NS(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PTGER2 P43116 4/20 0.34
ADAM17 P78536 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 2/20 0.33
KCNA5 P22460 1/20 0.33
ADAMTS4 O75173 1/20 0.33
TBXAS1 P24557 1/20 0.33
MMP2 P08253 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PTPRB P23467 1/20 0.32
PTGS1 P23219 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
SCHEMBL534320 0.93 PTGER2 (0.38) SLC1A3SLC1A2SLC1A1PTGER2P2RX7
SCHEMBL10322183 0.92 PTPRB (0.35) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL10323317 0.91 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL534170 0.91 PTGER2 (0.40) SLC1A3SLC1A2SLC1A1PTGER2ADAMTS4
SCHEMBL533714 0.91 PTGER2 (0.40) SLC1A3SLC1A2SLC1A1PTGER2ADAMTS4
SCHEMBL533698 0.89 PTGER2 (0.42) SLC1A3SLC1A2SLC1A1PTGER2ADAMTS4
SCHEMBL534195 0.89 PTGER2 (0.41) SLC1A3SLC1A2SLC1A1PTGER2P2RX7
SCHEMBL13571751 0.89 PTGER2 (0.42) SLC1A3SLC1A2SLC1A1PTGER2ADAM17
SCHEMBL533289 0.88 PTGER2 (0.43) SLC1A3SLC1A2SLC1A1PTGER2P2RX7
SCHEMBL17472618 0.87 PTGER2 (0.47) PTGER2ADAMTS4MMP2MMP13ITGAV

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 4 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
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 SLC1A3 655/4885SLC1A2 646/4885SLC1A1 467/4885

“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.