SCHEMBL4756419

SCHEMBL4756419

CCOC(=O)CNC(=O)c1ccc(O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
GFER P55789 1/20 0.53
LMNA P02545 2/20 0.49
HSP90AB1 P08238 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
EGLN1 Q9GZT9 1/20 0.48
SERPINE1 P05121 1/20 0.47
CASP1 P29466 1/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL14310476 0.88 SMN1; SMN2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL29195062 0.83 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29195057 0.83 SMN1; SMN2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1222232 0.82 ALDH1A1 (0.58) CA1CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL13718176 0.80 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL833589 0.78 NPC1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL23115286 0.78 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29195077 0.77 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL1222443 0.77 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL4755653 0.77 CA12 (0.60) CA12CA1CA2CA7CA9

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 5 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
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 CA12 4802/4885CA1 4368/4885CA2 1564/4885

“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.