SCHEMBL534486

SCHEMBL534486

Cc1nc(CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
CTSK P43235 6/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
CTSS P25774 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
PYGL P06737 1/20 0.30
CYP2C9 P11712 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
SCHEMBL533788 0.87 CTSK (0.33) CA2CTSKCNR2CNR1CTSS
SCHEMBL533745 0.80 RAB9A (0.34) RAB9ANPC1ALDH1A1MAPK1
SCHEMBL533687 0.78 CTSK (0.37) CA2CTSKALDH1A1CNR2CNR1
SCHEMBL27714178 0.76 RAB9A (0.33) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL31104352 0.68 CA1 (0.44) CA2RAB9ANPC1
SCHEMBL533562 0.67 RBP4 (0.30)
SCHEMBL83699 0.65 CA2 (0.50) CA2CTSKCTSSATM
SCHEMBL57432 0.65 CA2 (0.50) CA2CTSKCTSSATM
SCHEMBL90052 0.65 CA2 (0.50) CA2CTSKCTSSATM
SCHEMBL16088898 0.64 KMT2A (0.40) CA2CTSKALDH1A1CTSSMAPT

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 CA2 79/4885CTSK 2572/4885RAB9A 1700/4885

“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.