SCHEMBL13401516

SCHEMBL13401516

CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.52
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TLR2 O60603 2/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ SIRT2 Q8IXJ6 6/20 0.45
▸ SIRT1 Q96EB6 5/20 0.45
▸ SIRT3 Q9NTG7 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SIRT5 Q9NXA8 3/20 0.45

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
SCHEMBL16325412 1.00 MDM2 (0.52) MDM2CA1CA2TLR2TLR1
SCHEMBL29423558 0.93 MDM2 (0.46) MDM2CA1CA2TLR2TLR1
SCHEMBL16424792 0.93 MDM2 (0.46) MDM2CA1CA2TLR2TLR1
SCHEMBL22690415 0.93 MDM2 (0.46) MDM2CA1CA2TLR2TLR1
SCHEMBL22690416 0.93 MDM2 (0.46) MDM2CA1CA2TLR2TLR1
SCHEMBL30731420 0.93 MDM2 (0.46) MDM2CA1CA2TLR2TLR1
SCHEMBL4887094 0.92 MDM2 (0.53) MDM2CA1CA2TLR2TLR1
SCHEMBL4846913 0.92 MDM2 (0.53) MDM2CA1CA2TLR2TLR1
SCHEMBL31727174 0.91 MDM2 (0.45) MDM2CA1CA2TLR2TLR1
SCHEMBL17550375 0.90 MDM2 (0.44) MDM2CA1CA2TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 — — US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 — — US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 — — 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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 MDM2 3295/4885CA1 2106/4885CA2 4004/4885
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 MDM2 1864/4885CA1 1175/4885CA2 4082/4885

“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.

Send feedback