SCHEMBL5550449

SCHEMBL5550449

C=CCOC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ SIRT5 Q9NXA8 3/20 0.44
▸ SIRT2 Q8IXJ6 8/20 0.42
▸ SIRT1 Q96EB6 7/20 0.42
▸ SIRT3 Q9NTG7 3/20 0.42
▸ TLR2 O60603 2/20 0.42

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
SCHEMBL5550454 1.00 KMT2A (0.46) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL16325412 0.86 MDM2 (0.52) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL13401516 0.86 MDM2 (0.52) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL26015705 0.86 TLR2 (0.46) SIRT5SIRT2SIRT1SIRT3TLR2
SCHEMBL13196227 0.85 TLR2 (0.45) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL29371674 0.85 TLR2 (0.45) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL13311052 0.85 TLR2 (0.45) KMT2ASIRT5SIRT2SIRT1SIRT3
SCHEMBL10078346 0.85 KMT2A (0.50) KMT2ATLR2
SCHEMBL16093051 0.85 KMT2A (0.50) KMT2ATLR2
SCHEMBL25358347 0.84 KMT2A (0.57) KMT2ATLR2

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-1718340-B1 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-11-21 — — EP disclosed
EP-1718340-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2006-11-08 — — EP disclosed
US-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-10-20 — — US disclosed
WO-2005074901-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2005-08-18 — — 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 (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-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK KMT2A 3816/4885SIRT5 3881/4885SIRT2 4181/4885

“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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