SCHEMBL4403365

SCHEMBL4403365

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4ccc(F)cc4Cl)C(=O)OC(C)(C)C)c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
GAA P10253 1/20 0.36
PARP10 Q53GL7 2/20 0.36
LMNA P02545 2/20 0.35
CHRM4 P08173 1/20 0.34
GRM5 P41594 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL7150781 0.94 HTR2A (0.37) TP53GAAPARP10LMNACHRM4
SCHEMBL4411316 0.88 RORC (0.35) TP53PARP10LMNA
SCHEMBL4407001 0.87 GAA (0.35) TP53GAAPARP10LMNAPARP14
SCHEMBL4412034 0.87 LMNA (0.40) LMNA
SCHEMBL4405326 0.85 PDK1 (0.41) GAALMNA
SCHEMBL4404630 0.84 LMNA (0.38) TP53LMNA
SCHEMBL4398557 0.84 LMNA (0.38) LMNACHRM4
SCHEMBL4398222 0.83 LSS (0.40)
SCHEMBL4403834 0.83 LMNA (0.39) LMNA
SCHEMBL4396163 0.83 CHRM2 (0.39) LMNA

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 10 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-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 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 (6 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 TP53 951/4885GAA 622/4885PARP10 935/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 TP53 1277/4885GAA 699/4885PARP10 1050/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 TP53 1277/4885GAA 699/4885PARP10 1050/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885GAA 40/4885PARP10 1533/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885GAA 40/4885PARP10 1533/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 TP53 1277/4885GAA 699/4885PARP10 1050/4885

“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.