SCHEMBL560868

SCHEMBL560868

CC(C)C[C@@H](C(=O)OC1CCCC1)N(Cc1ccc(Cc2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK10 P53779 1/20 0.39
CHEK1 O14757 7/20 0.38
AAK1 Q2M2I8 1/20 0.34
IKBKB O14920 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL560869 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10166374 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL560596 0.89 KDM4E (0.34) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL560595 0.89 KDM4E (0.34) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL560379 0.80 CHEK1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL561298 0.80 CHEK1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL560380 0.80 CHEK1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10135214 0.79 AAK1 (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL2279115 0.79 CHEK1 (0.44) MEN1KMT2ACHEK1IKBKB
SCHEMBL2279117 0.79 CHEK1 (0.44) MEN1KMT2ACHEK1IKBKB

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 3 patents. 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
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

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 ALDH1A1 2776/4885KDM4E 1914/4885HPGD 2834/4885

“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.