SCHEMBL2619085

SCHEMBL2619085

COC(=O)c1cc(CCCN(C)C(=O)OC(C)(C)C)cc(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.40
CYP4F2 P78329 3/20 0.40
LMNA P02545 2/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL1742132 0.87 CYP4F2 (0.43) CYP4A11CYP4F2LMNAALDH1A1SMN1; SMN2
SCHEMBL5140738 0.87 CYP4A11 (0.55) CYP4A11CYP4F2NOTUMKDM4EALDH1A1
SCHEMBL28775341 0.86 TACR1 (0.38) CA14GLSL3MBTL1TACR1HDAC1
SCHEMBL2618862 0.83 KDM4E (0.40) CYP4A11CYP4F2LMNANOTUMKDM4E
SCHEMBL31245957 0.82 POLB (0.46) LMNAALDH1A1SMN1; SMN2MAPTCA14
SCHEMBL1742797 0.81 TACR1 (0.36) LMNACA14GLSL3MBTL1TACR1
SCHEMBL21527579 0.80 POLB (0.44) LMNAALDH1A1SMN1; SMN2RAB9ACA14
SCHEMBL2610739 0.80 CYP4A11 (0.48) CYP4A11CYP4F2LMNAKDM4EALDH1A1
SCHEMBL3006290 0.80 CYP4F2 (0.57) CYP4A11CYP4F2LMNAKDM4EALDH1A1
SCHEMBL379954 0.78 CYP4A11 (0.50) CYP4A11CYP4F2NOTUMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP 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 (1 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 CYP4A11 3826/4885CYP4F2 3954/4885LMNA 681/4885

“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.