SCHEMBL560396

SCHEMBL560396

CC(C)C[C@H](C(=O)OC1CCCC1)N(Cc1ccc(I)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
CYP19A1 P11511 1/20 0.34
NPR3 P17342 1/20 0.33
REN P00797 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL560395 1.00 CACNA1B (0.38) CACNA1BMMP2MMP9ANPEPAAK1
SCHEMBL2544106 0.90 AAK1 (0.39) CACNA1BMMP2MMP9ANPEPAAK1
SCHEMBL2544105 0.90 AAK1 (0.39) CACNA1BMMP2MMP9ANPEPAAK1
SCHEMBL10135208 0.87 AAK1 (0.39) AAK1
SCHEMBL2540085 0.86 NR1D1 (0.39)
SCHEMBL561031 0.86 CACNA1B (0.35) CACNA1BMMP2MMP9ANPEPAAK1
SCHEMBL561032 0.86 CACNA1B (0.35) CACNA1BMMP2MMP9ANPEPAAK1
SCHEMBL2540093 0.86 NR1D1 (0.39)
SCHEMBL560618 0.82 AAK1 (0.39) MMP2MMP9AAK1
SCHEMBL560617 0.82 AAK1 (0.39) MMP2MMP9AAK1

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 CACNA1B 2996/4885MMP2 4518/4885MMP9 4303/4885

“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.