SCHEMBL12445274

SCHEMBL12445274

CC(C)(C)c1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TTR P02766 1/20 0.44
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 4/20 0.40
CYP3A4 P08684 2/20 0.40
PGR P06401 1/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL8117922 0.87 ALDH1A1 (0.50) ALDH1A1MAPTTTRMEN1GALR3
SCHEMBL4090047 0.83 AR (0.49) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL29061908 0.79 MEN1 (0.53) ALDH1A1MAPTMEN1GALR3HTT
SCHEMBL515466 0.78 MAPT (0.54) ALDH1A1MAPTTTRSMN1; SMN2CYP3A4
SCHEMBL13553414 0.78 NPSR1 (0.42) ALDH1A1MAPTMEN1GALR3HTT
SCHEMBL31747006 0.77 TSHR (0.54) ALDH1A1MAPTTTRMEN1KMT2A
SCHEMBL713941 0.77 TSHR (0.54) ALDH1A1MAPTTTRMEN1KMT2A
SCHEMBL29172509 0.76 MAPT (0.44) ALDH1A1MAPTTTRMEN1HTT
SCHEMBL21538816 0.75 ALDH1A1 (0.46) ALDH1A1MAPTTTRMEN1KMT2A
SCHEMBL2345266 0.75 GPR35 (0.58) ALDH1A1MAPTTTRSMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 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 (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-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB ALDH1A1 2734/4885MAPT 3934/4885TTR 3722/4885

“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.