SCHEMBL5118055

SCHEMBL5118055

CC(NC(=O)c1ccc(O)cc1O)C(=O)NN

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
GFER P55789 2/20 0.65
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
CES2 O00748 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL10397207 0.80 ALDH1A1 (0.58) ALDH1A1GFERCA12CA1CA2
SCHEMBL14289650 0.80 ALDH1A1 (0.54) ALDH1A1GFERCA12CA1CA2
SCHEMBL1303113 0.79 ALDH1A1 (1.00) ALDH1A1GFERCA12CA1CA2
SCHEMBL4755653 0.76 CA12 (0.60) ALDH1A1GFERCA12CA1CA2
SCHEMBL2273264 0.72 ALDH1A1 (0.66) ALDH1A1GFERCA12CA1CA2
SCHEMBL19183434 0.72 ALDH1A1 (0.66) ALDH1A1GFERCA12CA1CA2
SCHEMBL8895300 0.72 FOLH1 (0.53) ALDH1A1GFERCA1CA2KDM4E
SCHEMBL1436513 0.70 ALDH1A1 (0.68) ALDH1A1GFERCA12CA1CA2
SCHEMBL11355751 0.70 CA1 (0.55) ALDH1A1GFERCA1CA2
SCHEMBL4758489 0.70 ALDH1A1 (0.72) ALDH1A1GFERCA12CA1CA2

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ALDH1A1 3968/4885GFER 3282/4885CA12 4802/4885

“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.