SCHEMBL3264342

SCHEMBL3264342

O=C(NC(Cc1ccccc1)C(=O)O)OCC1C2=C(C=CCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.41
CASP3 P42574 2/20 0.39
TNF P01375 1/20 0.39
MDM2 Q00987 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TYR P14679 1/20 0.39
CTSL P07711 2/20 0.38
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL3224249 1.00 MDM4 (0.44) MDM4TP53LMNACASP3TNF
SCHEMBL16435197 0.84 FOLH1 (0.51)
SCHEMBL8305410 0.83 MDM4 (0.47) MDM4TP53CASP3TNFMDM2
SCHEMBL30291593 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL29440768 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL29398498 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL118169 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL1228254 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL29367434 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2
SCHEMBL119455 0.82 MDM4 (0.59) MDM4TP53CASP3TNFMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148610-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-14 US disclosed
US-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-14 US disclosed
US-20120141509-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 US disclosed
US-20120141510-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 US disclosed
US-20120141508-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 US disclosed
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US disclosed
US-7745394-B2 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2010-06-29 US disclosed
US-7498298-B2 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2009-03-03 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 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 (8 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-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20120148610-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20120141510-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20120141509-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM MDM4 755/4885TP53 724/4885LMNA 394/4885
US-20120141508-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM4 361/4885TP53 1686/4885LMNA 509/4885

“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.