SCHEMBL4411823

SCHEMBL4411823

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cc(CCc4ccccc4)c[n+]([O-])c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ TPSAB1 Q15661 8/20 0.37
▸ F11 P03951 2/20 0.37
▸ PARP1 P09874 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
SCHEMBL4399108 0.85 PARP1 (0.39) HSD11B1TPSAB1PARP1
Hydrochloric Acid SCHEMBL4399052 0.81 TPSAB1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4404678 0.81 GRM5 (0.49) HSD11B1CA12CA1CA2CA7
SCHEMBL4406792 0.81 JAK2 (0.41) HSD11B1TPSAB1
SCHEMBL4399211 0.80 ACACB (0.46) PARP1
SCHEMBL4406915 0.79 LMNA (0.38) HSD11B1
SCHEMBL4403349 0.79 LMNA (0.44) HSD11B1TPSAB1PARP1
SCHEMBL4397958 0.77 ACACB (0.42) TPSAB1PARP1
SCHEMBL4401746 0.77 CCR5 (0.35) HSD11B1
SCHEMBL4405962 0.77 GRM5 (0.40) TPSAB1

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 HSD11B1 925/4885CA12 1714/4885CA1 1776/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 HSD11B1 925/4885CA12 1714/4885CA1 1776/4885

“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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