SCHEMBL533788

SCHEMBL533788

CC(C)(Cc1ccc(Br)c(CBr)n1)OC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.33
CA2 P00918 1/20 0.33
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL534486 0.87 CA2 (0.34) CTSKCA2CNR2CNR1CTSS
SCHEMBL533562 0.81 RBP4 (0.30)
SCHEMBL533687 0.76 CTSK (0.37) CTSKCA2CNR2CNR1CTSS
SCHEMBL533745 0.67 RAB9A (0.34)
SCHEMBL23107371 0.64 NPC1 (0.39)
SCHEMBL31330250 0.64 NPC1 (0.39)
SCHEMBL57432 0.63 CA2 (0.50) CTSKCA2CTSS
SCHEMBL90052 0.63 CA2 (0.50) CTSKCA2CTSS
SCHEMBL83699 0.63 CA2 (0.50) CTSKCA2CTSS
SCHEMBL533787 0.62 SSTR4 (0.34)

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 CTSK 2572/4885CA2 79/4885CNR2 185/4885

“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.