SCHEMBL13828154

SCHEMBL13828154

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCO1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 2/20 0.52
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
AKT1 P31749 1/20 0.49
ATM Q13315 1/20 0.49
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
PABPC1 P11940 1/20 0.47
ADORA1 P30542 1/20 0.47
KLK5 Q9Y337 1/20 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
SCHEMBL5408063 0.84 KMT2A (0.67) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL4900321 0.84 KMT2A (0.67) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL6350465 0.83 KMT2A (0.66) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL6346571 0.81 KMT2A (0.63) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL17054355 0.80 KMT2A (0.57) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL15047167 0.80 KMT2A (0.52) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL6162182 0.80 KMT2A (0.54) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL7544578 0.79 CTSS (0.61) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL10468511 0.79 ACE (0.68) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL28210547 0.79 KMT2A (0.53) KMT2ACTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
EP-2579887-B1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS INC (US) 2014-11-12 EP disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2011154359-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 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 (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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 KMT2A 2105/4885CTSS 1013/4885CTSK 724/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 KMT2A 2665/4885CTSS 471/4885CTSK 545/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 KMT2A 2665/4885CTSS 471/4885CTSK 545/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 KMT2A 933/4885CTSS 717/4885CTSK 541/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR KMT2A 2660/4885CTSS 2162/4885CTSK 1706/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 KMT2A 2665/4885CTSS 471/4885CTSK 545/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 KMT2A 2738/4885CTSS 448/4885CTSK 511/4885
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF AURKC, AURKA, AURKB KMT2A 887/4885CTSS 1956/4885CTSK 1143/4885

“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.