SCHEMBL533735

SCHEMBL533735

CC(C)(C)OC(=O)N(c1cccc(C(Cc2ccc(C3=NCCS3)cc2)NS(=O)(=O)c2ccc(F)cc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.37
ADAMTS4 O75173 6/20 0.34
MMP2 P08253 5/20 0.33
MMP9 P14780 4/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
USP30 Q70CQ3 2/20 0.33
MMP14 P50281 4/20 0.33
MMP8 P22894 3/20 0.32
MMP12 P39900 3/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
PTPRB P23467 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PTPN1 P18031 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
SCHEMBL534370 0.88 MMP13 (0.36) MMP13ADAMTS4MMP2MMP9MMP1
SCHEMBL533714 0.84 PTGER2 (0.40) MMP13ADAMTS4MMP2MMP9MMP1
SCHEMBL533733 0.83 MMP13 (0.31) MMP13
SCHEMBL533734 0.81 PTGER2 (0.47)
SCHEMBL13572368 0.80 PTGER2 (0.41) ADAMTS4PTPN1
SCHEMBL533315 0.79 PTPRB (0.38) ADAMTS4PTPRBCTSSCTSK
SCHEMBL532960 0.79 PTGER2 (0.42) MMP13MMP2MMP9MMP1MMP14
SCHEMBL534320 0.78 PTGER2 (0.38) ADAMTS4MMP2MMP9PTPRB
SCHEMBL534170 0.77 PTGER2 (0.40) ADAMTS4MMP2
SCHEMBL535157 0.77 PTPRB (0.36) MMP13PTPRB

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 843/4885ADAMTS4 3278/4885MMP2 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.