SCHEMBL6434667

SCHEMBL6434667

CC(C)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CYP26A1 O43174 1/20 0.39
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 4/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TACR3 P29371 1/20 0.37
ACE P12821 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6437334 0.89 ROCK2 (0.49) ROCK2ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL7450905 0.84 CA2 (0.44) ROCK2ACECA1CA2
SCHEMBL7391218 0.81 ROCK2 (0.34) ROCK2ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL7372438 0.79 GRN (0.45) CA1CA2
SCHEMBL7370207 0.78 CASP3 (0.46) PRSS1CA1CA2
SCHEMBL7369532 0.78 ITGB3 (0.46) ROCK2ROCK1
SCHEMBL6432699 0.78 GRN (0.38) ROCK2
Trifluoroacetic Acid SCHEMBL7368235 0.76 CA2 (0.40) CA1CA2
SCHEMBL6433230 0.76 ROCK2 (0.41) ROCK2ROCK1TACR3F2F10
Trifluoroacetic Acid SCHEMBL7377943 0.76 TMPRSS15 (0.44) PRSS1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 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-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CTSL 183/4885CYP26A1 2378/4885ROCK2 2546/4885

“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.