SCHEMBL4402040

SCHEMBL4402040

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cccc(N(Cc4cccnc4)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TRPV6 Q9H1D0 1/20 0.40
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
GAA P10253 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL4405328 0.94 TRPV6 (0.39) LMNATRPV6PDK1ALDH1A1NAMPT
SCHEMBL4398657 0.92 LMNA (0.49) LMNAABL1BCRPROKR1
SCHEMBL4403355 0.91 LMNA (0.41) LMNAALDH1A1
SCHEMBL4402058 0.88 LMNA (0.40) LMNAPROKR1
SCHEMBL4402034 0.88 LMNA (0.47) LMNAPDK1ALDH1A1NAMPTABL1
SCHEMBL4412037 0.87 LMNA (0.38) LMNA
SCHEMBL4404850 0.86 LMNA (0.38) LMNA
SCHEMBL4406784 0.86 LMNA (0.43) LMNAABL1BCRPROKR1
SCHEMBL4406877 0.86 LMNA (0.39) LMNAALDH1A1PROKR1
SCHEMBL4405694 0.84 TP53 (0.36) LMNAPROKR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 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 (2 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885TRPV6 293/4885PDK1 3099/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885TRPV6 293/4885PDK1 3099/4885

“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.