SCHEMBL10135214

SCHEMBL10135214

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.37
GAA P10253 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 2/20 0.32
GRM2 Q14416 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL560596 0.90 KDM4E (0.34) AAK1GAAMAPK1KDM4EALDH1A1
SCHEMBL560595 0.90 KDM4E (0.34) AAK1GAAMAPK1KDM4EALDH1A1
SCHEMBL10166374 0.88 ALDH1A1 (0.43) AAK1MAPK1KDM4EALDH1A1MAPT
SCHEMBL560868 0.79 ALDH1A1 (0.39) AAK1GAAMAPK1KDM4EALDH1A1
SCHEMBL560869 0.79 ALDH1A1 (0.39) AAK1GAAMAPK1KDM4EALDH1A1
SCHEMBL10135208 0.76 AAK1 (0.39) AAK1ALDH1A1MAPTNPSR1LMNA
SCHEMBL10135212 0.72 AAK1 (0.37) AAK1ALDH1A1MAPTNPSR1LMNA
SCHEMBL4563902 0.72 AAK1 (0.43) AAK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18203970 0.72 AAK1 (0.43) AAK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18203971 0.72 AAK1 (0.43) AAK1ALDH1A1LMNAMEN1KMT2A

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 AAK1 179/4885GAA 4135/4885MAPK1 21/4885

“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.