SCHEMBL560857

SCHEMBL560857

CC(C)C[C@@H](NCc1ccc(CCc2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.48
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 3/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
IKBKB O14920 2/20 0.37
NPR3 P17342 1/20 0.36
MAPK1 P28482 2/20 0.36
GFER P55789 2/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL693888 1.00 CHEK1 (0.48) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL560856 1.00 CHEK1 (0.48) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL560380 0.92 CHEK1 (0.47) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL560379 0.92 CHEK1 (0.47) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL561298 0.92 CHEK1 (0.47) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2286027 0.87 CHEK1 (0.62) CHEK1MEN1KMT2AIKBKB
SCHEMBL2286032 0.87 CHEK1 (0.62) CHEK1MEN1KMT2AIKBKB
SCHEMBL693887 0.86 CHEK1 (0.45) CHEK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL560693 0.85 CHEK1 (0.45) CHEK1IKBKB
SCHEMBL561409 0.85 CHEK1 (0.45) CHEK1IKBKB

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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA CHEK1 253/4885MAPK14 109/4885MAPK13 111/4885

“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.