SCHEMBL4405328

SCHEMBL4405328

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4cccnc4)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NAMPT P43490 1/20 0.37
VNN1 O95497 2/20 0.35
PROKR1 Q8TCW9 1/20 0.35
CCR5 P51681 1/20 0.35
BCL2 P10415 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL4402040 0.94 LMNA (0.44) TRPV6PDK1ALDH1A1GAALMNA
SCHEMBL4412037 0.94 LMNA (0.38) LMNATPSAB1
SCHEMBL4405694 0.90 TP53 (0.36) LMNAPROKR1BCL2
SCHEMBL4396166 0.89 FASN (0.37) LMNACCR5
SCHEMBL6488116 0.89 NR1H4 (0.36) LMNATLR9TLR8TLR7PROKR1
SCHEMBL4403838 0.88 LMNA (0.43) LMNAPROKR1
SCHEMBL4398226 0.88 MAPK7 (0.39) LMNACCR5
SCHEMBL4405326 0.88 PDK1 (0.41) PDK1ALDH1A1GAALMNATLR9
SCHEMBL4398657 0.85 LMNA (0.49) LMNAPROKR1
SCHEMBL4403355 0.85 LMNA (0.41) ALDH1A1LMNA

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 TRPV6 293/4885PDK1 3099/4885ALDH1A1 729/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TRPV6 293/4885PDK1 3099/4885ALDH1A1 729/4885

“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.