SCHEMBL15047170

SCHEMBL15047170

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(OCc2ccccc2)CO1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.49
KLK5 Q9Y337 7/20 0.49
KMT2A Q03164 2/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ACE P12821 2/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.46
PPARA Q07869 1/20 0.45
ATM Q13315 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
SCHEMBL15020483 0.87 KMT2A (0.40) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL15047167 0.86 KMT2A (0.52) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL15020437 0.77 HDAC8 (0.46) CTSLCTSBCTSK
SCHEMBL13828154 0.77 KMT2A (0.53) KLK5KMT2ACTSSCTSLCTSB
SCHEMBL16223434 0.77 CTSL (0.36) KLK7KLK5CTSSCTSLCTSB
SCHEMBL6162796 0.76 KMT2A (0.62) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL6624940 0.76 KMT2A (0.62) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL6624367 0.76 KMT2A (0.62) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL6161955 0.76 KMT2A (0.62) KMT2ACTSSCTSLCTSBCTSK
SCHEMBL6162598 0.76 KMT2A (0.62) KMT2ACTSSCTSLCTSBCTSK

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-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-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 US 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 (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-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF AURKC, AURKA, AURKB KLK7 1472/4885KLK5 1076/4885KMT2A 887/4885

“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.