SCHEMBL1193474

SCHEMBL1193474

CCCN([C]=O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA7 P43166 2/20 0.49
CA12 O43570 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CTSS P25774 7/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSD P07339 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 6/20 0.36
AKT1 P31749 2/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6850051 0.87 CA12 (0.41) CA1CA7CA12CA14CTSS
SCHEMBL6007384 0.86 CTSS (0.43) CA1CA7CA12CA14CTSS
SCHEMBL6005054 0.82 EPHX1 (0.34) CA1CA7CA12CA14CA2
SCHEMBL28357207 0.74 CA12 (0.32) CA1CA12CA2
SCHEMBL6008437 0.71 EPHX1 (0.40) CA1CA12CA2
SCHEMBL25278637 0.70 CA12 (0.46) CA1CA7CA12CA14CTSS
SCHEMBL21729582 0.70 CA12 (0.46) CA1CA7CA12CA14CTSS
SCHEMBL11346435 0.70 CA12 (0.50) CA1CA7CA12CA14CTSS
SCHEMBL20628780 0.70 TDP1 (0.50) CA1CA7CA12CA14CTSS
SCHEMBL13197738 0.70 CA1 (0.44) CA1CA7CA12CA14CTSS

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-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-7834037-B2 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US 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 (3 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-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H CA1 4784/4885CA7 4767/4885CA12 4877/4885
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 CA1 4787/4885CA7 4693/4885CA12 4860/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CA1 4787/4885CA7 4693/4885CA12 4860/4885

“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.