SCHEMBL10173305

SCHEMBL10173305

CC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.58
PIN1 Q13526 1/20 0.53
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.49
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL13044090 1.00 CASP3 (0.58) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL13722468 0.91 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL29356434 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL2591012 0.90 CASP3 (0.58) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL29670320 0.90 CASP3 (0.58) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL31697682 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL178791 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL799720 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL120703 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL29375252 0.90 CASP3 (0.60) CASP3PIN1KMT2AEPHX2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522194-B2 Methods of using monomethylvaline compositions having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2016-12-20 US disclosed
US-20150044238-A1 METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2015-02-12 US disclosed
US-8906376-B2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS, INC. (US) 2014-12-09 US disclosed
US-8871720-B2 Monomethylvaline compounds having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2014-10-28 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
US-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS, INC. (US) 2011-03-17 US disclosed
US-7851437-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS INC. (US) 2010-12-14 US disclosed
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-03-11 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 (6 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP CASP3 1276/4885PIN1 1129/4885KMT2A 1279/4885
US-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE CD47, CD2, CD22 CASP3 540/4885PIN1 428/4885KMT2A 649/4885
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A CASP3 1847/4885PIN1 308/4885KMT2A 3601/4885
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CASP3 2155/4885PIN1 486/4885KMT2A 2858/4885
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 CASP3 401/4885PIN1 851/4885KMT2A 3959/4885
US-20150044238-A1 METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS MARS1, PTMS, L3MBTL1 CASP3 1702/4885PIN1 562/4885KMT2A 2534/4885

“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.