SCHEMBL4406792

SCHEMBL4406792

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)O)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ CHRM4 P08173 2/20 0.40
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ TPSAB1 Q15661 5/20 0.40
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ STS P08842 1/20 0.39

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
SCHEMBL16343354 0.86 CETP (0.42) —
SCHEMBL4404678 0.84 GRM5 (0.49) HSD11B1TPSAB1
SCHEMBL4399211 0.83 ACACB (0.46) —
SCHEMBL4395909 0.83 HTR2C (0.44) —
SCHEMBL4403349 0.82 LMNA (0.44) HSD11B1TPSAB1
SCHEMBL4397958 0.82 ACACB (0.42) TPSAB1
SCHEMBL4399108 0.82 PARP1 (0.39) HSD11B1TPSAB1
SCHEMBL4398493 0.81 EPHX2 (0.43) —
SCHEMBL7145500 0.81 SLC2A1 (0.39) TPSAB1
SCHEMBL4411823 0.81 HSD11B1 (0.38) HSD11B1TPSAB1

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 6 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
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — 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 (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 JAK2 1752/4885JAK1 2553/4885HSD11B1 925/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 JAK2 1752/4885JAK1 2553/4885HSD11B1 925/4885

“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.

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