SCHEMBL6434672

SCHEMBL6434672

CC(C)COC(=O)C(Cc1ccccc1)NC(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
HPGDS O60760 6/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRSS1 P07477 3/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
CENPE Q02224 1/20 0.39
CYP26A1 O43174 1/20 0.39
KLKB1 P03952 1/20 0.38
ACE P12821 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL7390699 0.89 GAA (0.44) CTSLHPGDSCA1CA2GAA
SCHEMBL6437336 0.88 ROCK2 (0.48) HPGDSCA1CA2ROCK2ALDH1A1
Trifluoroacetic Acid SCHEMBL6432682 0.84 CA2 (0.49) HPGDSCA1CA2PDK1PDK2
Trifluoroacetic Acid SCHEMBL6432685 0.84 CA2 (0.49) HPGDSCA1CA2PDK1PDK2
SCHEMBL7391220 0.80 MAPT (0.36) CA1CA2ROCK2
SCHEMBL6434410 0.79 MAPT (0.45) CA1CA2GAAALDH1A1
Trifluoroacetic Acid SCHEMBL6435197 0.79 GRN (0.51) CA1CA2PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6435207 0.79 GRN (0.51) CA1CA2PDK1PDK2PDK3
SCHEMBL7370211 0.78 CA2 (0.51) CA1CA2PRSS1
SCHEMBL7369537 0.77 CTSA (0.46) ROCK2ROCK1

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 183/4885HPGDS 899/4885CA1 3943/4885

“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.