SCHEMBL12496166

SCHEMBL12496166

CCOC(=O)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
ALDH1A1 P00352 3/20 0.41
SYK P43405 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK14 Q16539 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TMPRSS15 P98073 2/20 0.35
OGA O60502 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL6496922 0.88 CDC7 (0.46) CDC7DBF4ALDH1A1SYKUSP30
SCHEMBL4038874 0.85 ALDH1A1 (0.44) ALDH1A1USP30TMPRSS15HPGDL3MBTL1
SCHEMBL2235521 0.75 CDC7 (0.51) CDC7DBF4ALDH1A1HDAC3HDAC4
SCHEMBL16933028 0.75 CDC7 (0.60) CDC7DBF4ALDH1A1HDAC3HDAC4
SCHEMBL28479857 0.75 CDC7 (0.48) CDC7DBF4ALDH1A1HDAC3HDAC4
SCHEMBL20468298 0.75 USP30 (0.43) ALDH1A1USP30
SCHEMBL948557 0.74 CDC7 (0.47) CDC7DBF4ALDH1A1HPGDKDM4E
SCHEMBL3382885 0.74 RAB9A (0.51) ALDH1A1HPGDKDM4ETDP1
SCHEMBL28321261 0.73 USP30 (0.43) ALDH1A1USP30HDAC1HDAC6
SCHEMBL4276371 0.73 CDC7 (0.55) CDC7DBF4ALDH1A1HDAC3HDAC4

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 CDC7 2502/4885DBF4 3813/4885ALDH1A1 994/4885

“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.