SCHEMBL17898620

SCHEMBL17898620

CC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CTSK P43235 5/20 0.54
CTSS P25774 4/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CAPN1 P07384 1/20 0.50
ATM Q13315 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CXCR3 P49682 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL15683031 0.97 CA1 (0.53) CA1CA2CTSKCTSSMEN1
SCHEMBL16790735 0.94 MEN1 (0.56) CA1CA2CTSKCTSSMEN1
SCHEMBL13702224 0.94 MEN1 (0.56) CA1CA2CTSKCTSSMEN1
SCHEMBL12179560 0.93 TDP1 (0.58) CA1CA2CTSKCTSSMEN1
SCHEMBL15683032 0.92 CA1 (0.49) CA1CA2CTSKCTSSMEN1
SCHEMBL16185926 0.91 CA1 (0.57) CA1CA2CTSKCTSSMEN1
SCHEMBL12179561 0.90 CTSS (0.55) CA1CA2CTSKCTSSMEN1
SCHEMBL16790732 0.90 MEN1 (0.62) CA1CA2CTSKCTSSMEN1
SCHEMBL16921306 0.90 CA1 (0.53) CA1CA2CTSKCTSSMEN1
SCHEMBL16504634 0.89 MEN1 (0.58) CA1CA2CTSKCTSSMEN1

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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-07-07 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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CA1 566/4885CA2 1000/4885CTSK 682/4885

“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.