SCHEMBL560379

SCHEMBL560379

CC(C)C[C@H](NCc1ccc(Cc2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.47
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
IKBKB O14920 2/20 0.37

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
SCHEMBL561298 1.00 CHEK1 (0.47) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL560380 1.00 CHEK1 (0.47) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL560857 0.92 CHEK1 (0.48) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL693888 0.92 CHEK1 (0.48) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL560856 0.92 CHEK1 (0.48) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL13153755 0.89 MAPK14 (0.43) CHEK1ALDH1A1MAPTHPGDKDM4E
SCHEMBL2286027 0.88 CHEK1 (0.62) CHEK1MEN1KMT2AIKBKBJAK2
SCHEMBL2286032 0.88 CHEK1 (0.62) CHEK1MEN1KMT2AIKBKBJAK2
SCHEMBL693887 0.87 CHEK1 (0.45) CHEK1MAPTKDM4EMAPK14MAPK13
SCHEMBL561409 0.86 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421844-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2012-02-29 EP disclosed
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
WO-2010122294-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2010-10-28 WO disclosed
WO-2010122294-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2010-10-28 WO 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 253/4885ALDH1A1 2776/4885MAPT 224/4885

“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.